2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile

C17H13N5O — CID 123691266

IUPAC2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
SMILESCOc1ccc(Nc2nccc(-c3ccccc3C#N)n2)nc1
InChIInChI=1S/C17H13N5O/c1-23-13-6-7-16(20-11-13)22-17-19-9-8-15(21-17)14-5-3-2-4-12(14)10-18/h2-9,11H,1H3,(H,19,20,21,22)
InChIKeyMPYFOYMVLFVDCY-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.16
Rot. Bonds4

About 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile

2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile (PubChem CID 123691266) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
PubChem CID123691266
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
SMILESCOc1ccc(Nc2nccc(-c3ccccc3C#N)n2)nc1
InChIInChI=1S/C17H13N5O/c1-23-13-6-7-16(20-11-13)22-17-19-9-8-15(21-17)14-5-3-2-4-12(14)10-18/h2-9,11H,1H3,(H,19,20,21,22)
InChIKeyMPYFOYMVLFVDCY-UHFFFAOYSA-N
XLogP3.16
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(6-methyl-3-pyridinyl)amino]pyrimidin-4-yl]benzonitrile
CID 123706959
2-(2-phenylpyrimidin-4-yl)benzonitrile
CID 21476415
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112901710
2-[2-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethylamino]pyrimidin-4-yl]benzonitrile
CID 73388901
2-[[2-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112895341
2-[4-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile
CID 24622576
2-[2-(2-methoxyethylamino)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-4-yl]benzonitrile
CID 58688483
4-[[4-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]amino]benzonitrile
CID 112892516
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
N-[5-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]-2-pyridinyl]-4-phenylphthalazin-1-amine
CID 24855843
2-[2-[(4-methoxyphenyl)methoxy]phenyl]pyridine-3-carbonitrile
CID 86604951
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The IUPAC name of 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile (CID 123691266) is 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The canonical SMILES for 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile is COc1ccc(Nc2nccc(-c3ccccc3C#N)n2)nc1.
What is the InChIKey of 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
The InChIKey is MPYFOYMVLFVDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-23-13-6-7-16(20-11-13)22-17-19-9-8-15(21-17)14-5-3-2-4-12(14)10-18/h2-9,11H,1H3,(H,19,20,21,22).
What are the key properties of 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile?
2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile has a molecular weight of 303.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-methoxy-2-pyridinyl)amino]pyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 123691266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).