6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

C12H16N4 — CID 115143281

IUPAC6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)C2CCCC2)n1
InChIInChI=1S/C12H16N4/c1-9-14-10(8-13)7-12(15-9)16(2)11-5-3-4-6-11/h7,11H,3-6H2,1-2H3
InChIKeyIRCDHDHPMYCPRE-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.04
Rot. Bonds2

About 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile

6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (PubChem CID 115143281) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
PubChem CID115143281
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(N(C)C2CCCC2)n1
InChIInChI=1S/C12H16N4/c1-9-14-10(8-13)7-12(15-9)16(2)11-5-3-4-6-11/h7,11H,3-6H2,1-2H3
InChIKeyIRCDHDHPMYCPRE-UHFFFAOYSA-N
XLogP2.04
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[methyl(oxan-4-yl)amino]pyrimidine-4-carbonitrile
CID 115143283
6-[2-cyclobutylethyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile
CID 115143439
4-N-cyclopentyl-4-N,6-N,2-trimethylpyrimidine-4,6-diamine
CID 80774637
2-chloro-6-[cyclohexyl(methyl)amino]pyridine-4-carbonitrile
CID 83073662
2-methyl-6-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carbonitrile
CID 115143377
4-N-cyclobutyl-4-N,2-dimethyl-6-N-[3-(methylamino)propyl]pyrimidine-4,6-diamine
CID 115266412
6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
CID 121206712
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
N-cyclobutyl-N,2-dimethylpyrimidin-4-amine
CID 126855791
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
2,6-dichloro-N-cyclopentyl-N-methylpyrimidin-4-amine
CID 130569686

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile (CID 115143281) is 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(N(C)C2CCCC2)n1.
What is the InChIKey of 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
The InChIKey is IRCDHDHPMYCPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-10(8-13)7-12(15-9)16(2)11-5-3-4-6-11/h7,11H,3-6H2,1-2H3.
What are the key properties of 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile?
6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopentyl(methyl)amino]-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 115143281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).