2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile

C17H13N5 — CID 123706959

IUPAC2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
SMILESCc1ccc(Nc2nccc(-c3ccccc3C#N)n2)cn1
InChIInChI=1S/C17H13N5/c1-12-6-7-14(11-20-12)21-17-19-9-8-16(22-17)15-5-3-2-4-13(15)10-18/h2-9,11H,1H3,(H,19,21,22)
InChIKeyUBIVLZPWVCOMMS-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.46
Rot. Bonds3

About 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile

2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile (PubChem CID 123706959) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
PubChem CID123706959
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
SMILESCc1ccc(Nc2nccc(-c3ccccc3C#N)n2)cn1
InChIInChI=1S/C17H13N5/c1-12-6-7-14(11-20-12)21-17-19-9-8-16(22-17)15-5-3-2-4-13(15)10-18/h2-9,11H,1H3,(H,19,21,22)
InChIKeyUBIVLZPWVCOMMS-UHFFFAOYSA-N
XLogP3.46
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
CID 123691266
4-[1-methyl-5-(methylamino)pyrazol-4-yl]-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
CID 24964184
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
N-(6-chloro-3-pyridinyl)-4-(2-fluorophenyl)pyrimidin-2-amine
CID 110170632
4-isoquinolin-4-yl-N-[4-[3-(6-methyl-3-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine
CID 117078762
5-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-2-(5-methyl-1H-imidazol-2-yl)benzonitrile
CID 68631256
ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828
5-(2-aminophenyl)-N-(6-methyl-3-pyridinyl)pyrimidin-2-amine
CID 139437886
4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
CID 141131257
N-(4-nitrophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539363
2-anilinopyrimidine-4-carbonitrile
CID 19392543
3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
CID 155552177

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile (CID 123706959) is 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile is Cc1ccc(Nc2nccc(-c3ccccc3C#N)n2)cn1.
What is the InChIKey of 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The InChIKey is UBIVLZPWVCOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c1-12-6-7-14(11-20-12)21-17-19-9-8-16(22-17)15-5-3-2-4-13(15)10-18/h2-9,11H,1H3,(H,19,21,22).
What are the key properties of 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile has a molecular weight of 287.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 123706959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).