2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile

C13H19N5 — CID 115264894

IUPAC2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC1CCCC1)c1cc(NCC#N)ncn1
InChIInChI=1S/C13H19N5/c1-18(9-11-4-2-3-5-11)13-8-12(15-7-6-14)16-10-17-13/h8,10-11H,2-5,7,9H2,1H3,(H,15,16,17)
InChIKeyGSLBMKMDYHUZIW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.04
Rot. Bonds5

About 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile

2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile (PubChem CID 115264894) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
PubChem CID115264894
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
SMILESCN(CC1CCCC1)c1cc(NCC#N)ncn1
InChIInChI=1S/C13H19N5/c1-18(9-11-4-2-3-5-11)13-8-12(15-7-6-14)16-10-17-13/h8,10-11H,2-5,7,9H2,1H3,(H,15,16,17)
InChIKeyGSLBMKMDYHUZIW-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
4-N-(cyclopropylmethyl)-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80796879
5-[[6-[cyclohexylmethyl(methyl)amino]pyrimidin-4-yl]amino]pyrazine-2-carbonitrile
CID 153263770
[6-[methyl(oxan-4-ylmethyl)amino]pyrimidin-4-yl]cyanamide
CID 115264692
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
CID 115266311
2-[[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264833
4-N-(2-aminopropyl)-6-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265897
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
1-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266292

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile (CID 115264894) is 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile is CN(CC1CCCC1)c1cc(NCC#N)ncn1.
What is the InChIKey of 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
The InChIKey is GSLBMKMDYHUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-18(9-11-4-2-3-5-11)13-8-12(15-7-6-14)16-10-17-13/h8,10-11H,2-5,7,9H2,1H3,(H,15,16,17).
What are the key properties of 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile?
2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile has a molecular weight of 245.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115264894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).