2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile

C13H19N5 — CID 107544497

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
SMILESCN(CCNc1nccc(C#N)n1)C1CCCC1
InChIInChI=1S/C13H19N5/c1-18(12-4-2-3-5-12)9-8-16-13-15-7-6-11(10-14)17-13/h6-7,12H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeySRFRTDRYKRUIRV-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.63
Rot. Bonds5

About 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile

2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile (PubChem CID 107544497) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
PubChem CID107544497
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile
SMILESCN(CCNc1nccc(C#N)n1)C1CCCC1
InChIInChI=1S/C13H19N5/c1-18(12-4-2-3-5-12)9-8-16-13-15-7-6-11(10-14)17-13/h6-7,12H,2-5,8-9H2,1H3,(H,15,16,17)
InChIKeySRFRTDRYKRUIRV-UHFFFAOYSA-N
XLogP1.63
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[cyclopentyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 115487694
2-(2-cyclopentyloxyethylamino)pyrimidine-4-carbonitrile
CID 107544548
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-cyclohexyl-N'-methylethane-1,2-diamine
CID 90747007
4-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carbonitrile
CID 62979748
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
N-(2-chloropyrimidin-4-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 63316886
2-[(1-methylpyrrolidin-2-yl)methylamino]pyrimidine-4-carbonitrile
CID 106024746
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-[(2-methylcyclohexyl)amino]pyrimidine-4-carbonitrile
CID 107543459
3-[2-[cyclopropyl(methyl)amino]ethylamino]pyrazine-2-carbonitrile
CID 55210942
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile (CID 107544497) is 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile is CN(CCNc1nccc(C#N)n1)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile?
The InChIKey is SRFRTDRYKRUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-18(12-4-2-3-5-12)9-8-16-13-15-7-6-11(10-14)17-13/h6-7,12H,2-5,8-9H2,1H3,(H,15,16,17).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile?
2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylamino]pyrimidine-4-carbonitrile is sourced from PubChem (CID 107544497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).