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

C13H18N4 — CID 107543687

IUPAC2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C1CCCC1
InChIInChI=1S/C13H18N4/c1-3-17(12-6-4-5-7-12)13-15-10(2)8-11(9-14)16-13/h8,12H,3-7H2,1-2H3
InChIKeyOBPRBUYYZPHYLS-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.43
Rot. Bonds3

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

2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107543687) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107543687
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C1CCCC1
InChIInChI=1S/C13H18N4/c1-3-17(12-6-4-5-7-12)13-15-10(2)8-11(9-14)16-13/h8,12H,3-7H2,1-2H3
InChIKeyOBPRBUYYZPHYLS-UHFFFAOYSA-N
XLogP2.43
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
CID 107552593
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609
N-ethyl-4,6-dimethyl-N-piperidin-3-ylpyrimidin-2-amine
CID 55245888
2-[(4,4-dimethylcyclohexyl)-methylamino]-6-methylpyrimidine-4-carbonitrile
CID 107544849
N-(2-chloroethyl)-N-cyclohexyl-4,6-dimethylpyrimidin-2-amine
CID 55183880
2-[cyclopropylmethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544097
4-[cyclohexyl(ethyl)amino]pyridine-2-carbonitrile
CID 55157250
2-[ethyl(prop-2-enyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544983
6-methyl-2-[piperidin-4-ylmethyl(propyl)amino]pyrimidine-4-carbonitrile
CID 107552637
6-methyl-2-[methyl(piperidin-4-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552634

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107543687) is 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile is CCN(c1nc(C)cc(C#N)n1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is OBPRBUYYZPHYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-17(12-6-4-5-7-12)13-15-10(2)8-11(9-14)16-13/h8,12H,3-7H2,1-2H3.
What are the key properties of 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 230.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107543687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).