2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine - CAS 848398-41-4

Name: 2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB068064
Product Name:	2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine
CAS:	848398-41-4
Synonyms:	2,4-DICHLORO-5,7-DIHYDROFURO[3,4-D]PYRIMIDINE; 2,4-DICHLORO-5,7-DIHYDRO-FURO[3,4-D]PYRIMIDINE; 2,4-DICHLORO-5H,7H-FURO[3,4-D]PYRIMIDINE; Furo[3,4-d]pyrimidine, 2,4-dichloro-5,7-dihydro-

Technical Data

IUPAC Name:	2,4-dichloro-5,7-dihydrofuro[3,4-d]pyrimidine
Description:	2,4-Dichloro-5,7-dihydrofuro[3,4-d]pyrimidine is used as a reagent in the synthesis of substituted pyrimidinediamines as potent dual BRD4-kinase inhibitors for treating cancer.
Molecular Weight:	191.01
Molecular Formula:	C6H4Cl2N2O
Canonical SMILES:	C1C2=C(CO1)N=C(N=C2Cl)Cl
InChI:	InChI=1S/C6H4Cl2N2O/c7-5-3-1-11-2-4(3)9-6(8)10-5/h1-2H2
InChI Key:	WRAAHQVXMZLMQR-UHFFFAOYSA-N
References:	Schoenbrunn, E., et al. PCT Int. Appl. WO 2016022460 A1 20160211. Feb 11, 2016.

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9700681
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.9700681
Rotatable Bond Count:	0
Topological Polar Surface Area:	35Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4