2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile

C14H21N5 — CID 107552593

IUPAC2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C1CCCC1CN
InChIInChI=1S/C14H21N5/c1-3-19(13-6-4-5-11(13)8-15)14-17-10(2)7-12(9-16)18-14/h7,11,13H,3-6,8,15H2,1-2H3
InChIKeyQXVGXBNJKQZPCP-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.61
Rot. Bonds4

About 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile

2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107552593) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107552593
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile
SMILESCCN(c1nc(C)cc(C#N)n1)C1CCCC1CN
InChIInChI=1S/C14H21N5/c1-3-19(13-6-4-5-11(13)8-15)14-17-10(2)7-12(9-16)18-14/h7,11,13H,3-6,8,15H2,1-2H3
InChIKeyQXVGXBNJKQZPCP-UHFFFAOYSA-N
XLogP1.61
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-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

2-[cyclopentyl(ethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543687
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770116
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770120
2-[cyclopropyl(propyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543618
4-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]oxolane-3-carboxylic acid
CID 107543056
3-[[2-(aminomethyl)cyclopentyl]-ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 80514923
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-methoxybenzonitrile
CID 81304710
N-[2-(aminomethyl)cyclopentyl]-4-ethoxy-N,6-dimethylpyrimidin-2-amine
CID 112635004
2-[[2-(aminomethyl)cyclohexyl]-ethylamino]-5-bromobenzonitrile
CID 114894077
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
CID 61076731
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
2-[ethyl(propan-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107543609

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile (CID 107552593) is 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile is CCN(c1nc(C)cc(C#N)n1)C1CCCC1CN.
What is the InChIKey of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is QXVGXBNJKQZPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-19(13-6-4-5-11(13)8-15)14-17-10(2)7-12(9-16)18-14/h7,11,13H,3-6,8,15H2,1-2H3.
What are the key properties of 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile?
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 259.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107552593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).