4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile

C16H14N6O — CID 112932340

IUPAC4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H14N6O/c1-10-7-14(20-15-8-11(2)23-22-15)21-16(18-10)19-13-5-3-12(9-17)4-6-13/h3-8H,1-2H3,(H2,18,19,20,21,22)
InChIKeyQEKIIWUFUJXCHZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.44
Rot. Bonds4

About 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile

4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile (PubChem CID 112932340) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
PubChem CID112932340
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile
SMILESCc1cc(Nc2cc(C)on2)nc(Nc2ccc(C#N)cc2)n1
InChIInChI=1S/C16H14N6O/c1-10-7-14(20-15-8-11(2)23-22-15)21-16(18-10)19-13-5-3-12(9-17)4-6-13/h3-8H,1-2H3,(H2,18,19,20,21,22)
InChIKeyQEKIIWUFUJXCHZ-UHFFFAOYSA-N
XLogP3.44
TPSA99.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(4-chlorophenyl)-6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112929887
6-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112931859
4-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932222
4-[[4-(4-tert-butylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112929265
4-[[4-methyl-6-(4-phenoxyanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112931853
4-[[4-(4-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112928708
4-[[4-(3,4-difluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932339
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932034
4-[[4-methyl-6-(propylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112906997
4-[[4-(3-fluoroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112931888
4-N-(3,4-dimethylphenyl)-6-methyl-2-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2,4-diamine
CID 112928213
4-[[4-(2,3-dichloroanilino)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112932246

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile?
The IUPAC name of 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile (CID 112932340) is 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile?
The canonical SMILES for 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile is Cc1cc(Nc2cc(C)on2)nc(Nc2ccc(C#N)cc2)n1.
What is the InChIKey of 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile?
The InChIKey is QEKIIWUFUJXCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10-7-14(20-15-8-11(2)23-22-15)21-16(18-10)19-13-5-3-12(9-17)4-6-13/h3-8H,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile?
4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile has a molecular weight of 306.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]benzonitrile is sourced from PubChem (CID 112932340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).