4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile

C12H11N5 — CID 134244020

IUPAC4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCc1ccnc(NCc2ccnc(C#N)c2)n1
InChIInChI=1S/C12H11N5/c1-9-2-4-15-12(17-9)16-8-10-3-5-14-11(6-10)7-13/h2-6H,8H2,1H3,(H,15,16,17)
InChIKeyHSOYUQXWAPUGCL-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.66
Rot. Bonds3

About 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile

4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile (PubChem CID 134244020) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
PubChem CID134244020
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
SMILESCc1ccnc(NCc2ccnc(C#N)c2)n1
InChIInChI=1S/C12H11N5/c1-9-2-4-15-12(17-9)16-8-10-3-5-14-11(6-10)7-13/h2-6H,8H2,1H3,(H,15,16,17)
InChIKeyHSOYUQXWAPUGCL-UHFFFAOYSA-N
XLogP1.66
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile 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

4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
(2-cyano-4-pyridinyl)methylcarbamic acid
CID 126744334
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(3,3-dimethylbutan-2-ylamino)methyl]pyridine-2-carbonitrile
CID 115752803
4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile (CID 134244020) is 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile is Cc1ccnc(NCc2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile?
The InChIKey is HSOYUQXWAPUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-9-2-4-15-12(17-9)16-8-10-3-5-14-11(6-10)7-13/h2-6H,8H2,1H3,(H,15,16,17).
What are the key properties of 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile?
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 134244020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).