4-(4-Morpholinyl)-1,3,5-triazin-2-amine - CAS 2045-25-2

Catalog:	BB015985
Product Name:	4-(4-Morpholinyl)-1,3,5-triazin-2-amine
CAS:	2045-25-2
Synonyms:	4-morpholin-4-yl-1,3,5-triazin-2-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	4-morpholin-4-yl-1,3,5-triazin-2-amine
Description:	4-(4-Morpholinyl)-1,3,5-triazin-2-amine (CAS# 2045-25-2) is a useful research chemical.
Molecular Weight:	181.20
Molecular Formula:	C7H11N5O
Canonical SMILES:	C1COCCN1C2=NC(=NC=N2)N
InChI:	InChI=1S/C7H11N5O/c8-6-9-5-10-7(11-6)12-1-3-13-4-2-12/h5H,1-4H2,(H2,8,9,10,11)
InChI Key:	QEJUSHCHCOTTPE-UHFFFAOYSA-N
Boiling Point:	434.8 °C at 760 mmHg
Density:	1.345 g/cm³
MDL:	MFCD00023307
LogP:	-0.06340

Publication Number	Title	Priority Date
EP-2743262-A1	Method for Obtaining a Triazine Compound with at least one Tertiary Amino Group	20121211
EP-2588473-A1	Nitrogen containing heterocyclic compounds as pik3 -delta inhibitors	20100630
US-2013079342-A1	Heterocyclic compounds and their uses	20100630
WO-2012003264-A1	Nitrogen containing heterocyclic compounds as pik3 -delta inhibitors	20100630
EP-2451802-A1	Pyrimidinyl and 1,3,5-triazinyl benzimidazoles and their use in cancer therapy	20090707

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Related Functional Groups

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.09635999
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.09635999
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3