2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile

C12H16N4 — CID 107544542

IUPAC2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
SMILESCC1(CNc2nccc(C#N)n2)CCCC1
InChIInChI=1S/C12H16N4/c1-12(5-2-3-6-12)9-15-11-14-7-4-10(8-13)16-11/h4,7H,2-3,5-6,9H2,1H3,(H,14,15,16)
InChIKeyRZVYUJCXOQZHDD-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.34
Rot. Bonds3

About 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile

2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile (PubChem CID 107544542) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
PubChem CID107544542
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
SMILESCC1(CNc2nccc(C#N)n2)CCCC1
InChIInChI=1S/C12H16N4/c1-12(5-2-3-6-12)9-15-11-14-7-4-10(8-13)16-11/h4,7H,2-3,5-6,9H2,1H3,(H,14,15,16)
InChIKeyRZVYUJCXOQZHDD-UHFFFAOYSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107544209
N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 63822155
N-[(1-methylcyclobutyl)methyl]pyrimidin-2-amine
CID 103736890
2-[[2-methyl-3-(methylamino)propyl]amino]pyrimidine-4-carbonitrile
CID 107552672
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
CID 107544497
3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 114094936
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
2-[(3-ethylthiophen-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 107544856
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile (CID 107544542) is 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile is CC1(CNc2nccc(C#N)n2)CCCC1.
What is the InChIKey of 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
The InChIKey is RZVYUJCXOQZHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(5-2-3-6-12)9-15-11-14-7-4-10(8-13)16-11/h4,7H,2-3,5-6,9H2,1H3,(H,14,15,16).
What are the key properties of 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile?
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).