4-Chloro-6-cyclopropylpyrimidine - CAS 7038-76-8

Catalog:	BB062561
Product Name:	4-Chloro-6-cyclopropylpyrimidine
CAS:	7038-76-8
Synonyms:	4-Chloro-6-cyclopropylpyrimidine; 4-CHLORO-6-CYCLOPROPYL-PYRIMIDINE

Technical Data

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Patents

Computed Properties

IUPAC Name:	4-chloro-6-cyclopropylpyrimidine
Description:	4-chloro-6-cyclopropylpyrimidine (cas# 7038-76-8) is a useful research chemical. It is used in the preparation of pyrazinedihydropyrimidinone and pyridazinedihydropyrimidinone compounds as RORγ modulators.
Molecular Weight:	154.6
Molecular Formula:	C7H7ClN2
Canonical SMILES:	C1CC1C2=CC(=NC=N2)Cl
InChI:	InChI=1S/C7H7ClN2/c8-7-3-6(5-1-2-5)9-4-10-7/h3-5H,1-2H2
InChI Key:	QQWGJFXERXLUHI-UHFFFAOYSA-N
References:	Collin, D., et al. PCT Int. Appl. (2017), WO 2017127375 A1 20170727.

Publication Number	Title	Priority Date
WO-2017127375-A1	Pyrazinedihydropyrimidinone or pyridazinedihydropyrimidinone compounds as modulators of ror gamma	20160120
EP-3405470-B1	Pyrazinedihydropyrimidinone or pyridazinedihydropyrimidinone compounds as modulators of ror gamma	20160120
US-2021171527-A1	Compounds as modulators of ror gamma	20160120
EP-3390387-A1	Heteroarylbenzimidazole compounds	20151218
TW-201726657-A	Heteroarylbenzimidazole compound	20151218
US-2019047980-A1	Heteroarylbenzimidazole compounds	20151218
WO-2017102091-A1	Heteroarylbenzimidazole compounds	20151218
US-10894784-B2	Heteroarylbenzimidazole compounds	20151218
EP-3390387-B1	Heteroarylbenzimidazole compounds	20151218
EP-3356366-B1	Pteridine derivatives as modulators of ror gamma	20151001

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.0297759
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.0297759
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7