2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile

C13H18N4 — CID 62741149

IUPAC2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCc1nccc(CNC2CCCCC2C#N)n1
InChIInChI=1S/C13H18N4/c1-10-15-7-6-12(17-10)9-16-13-5-3-2-4-11(13)8-14/h6-7,11,13,16H,2-5,9H2,1H3
InChIKeyWFUYTCCTRNFOBX-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.96
Rot. Bonds3

About 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile

2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 62741149) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
PubChem CID62741149
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCc1nccc(CNC2CCCCC2C#N)n1
InChIInChI=1S/C13H18N4/c1-10-15-7-6-12(17-10)9-16-13-5-3-2-4-11(13)8-14/h6-7,11,13,16H,2-5,9H2,1H3
InChIKeyWFUYTCCTRNFOBX-UHFFFAOYSA-N
XLogP1.96
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-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

trans-(1R,2R)-2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentan-1-ol
CID 93444311
2-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]cyclohexan-1-amine
CID 60962281
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62742459
2-[(3-methyl-2-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 63305762
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-[(4-methyl-1,3-thiazol-2-yl)methylamino]cyclohexane-1-carbonitrile
CID 62742062
1-N-methyl-2-N-[(2-phosphanylpyrimidin-4-yl)methyl]cyclohexane-1,2-diamine
CID 170325251
tert-butyl N-[2-[(2-methylpyrimidin-4-yl)methylamino]cyclopentyl]carbamate
CID 104844678
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile (CID 62741149) is 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile is Cc1nccc(CNC2CCCCC2C#N)n1.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is WFUYTCCTRNFOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-15-7-6-12(17-10)9-16-13-5-3-2-4-11(13)8-14/h6-7,11,13,16H,2-5,9H2,1H3.
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile?
2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62741149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).