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

C13H19N5 — CID 115266206

IUPAC2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)C2CCCC2)ncn1
InChIInChI=1S/C13H19N5/c1-17(8-7-14)12-9-13(16-10-15-12)18(2)11-5-3-4-6-11/h9-11H,3-6,8H2,1-2H3
InChIKeyRWRRJKDYJMNUFK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.82
Rot. Bonds4

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

2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile (PubChem CID 115266206) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
PubChem CID115266206
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile
SMILESCN(CC#N)c1cc(N(C)C2CCCC2)ncn1
InChIInChI=1S/C13H19N5/c1-17(8-7-14)12-9-13(16-10-15-12)18(2)11-5-3-4-6-11/h9-11H,3-6,8H2,1-2H3
InChIKeyRWRRJKDYJMNUFK-UHFFFAOYSA-N
XLogP1.82
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266208
2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264844
2-[methyl-[6-[methyl(pyridin-4-yl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115266204
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
N-cyclopropyl-6-ethyl-N-methylpyrimidin-4-amine
CID 131155760
N-cyclohexyl-N-methyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 163343857
2-[[6-[(4-bromothiophen-2-yl)-methylamino]pyrimidin-4-yl]-methylamino]acetonitrile
CID 115266198
2-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]ethanethiol
CID 115264417
N-cyclopropyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416474
2-[[6-[cyclopentylmethyl(methyl)amino]pyrimidin-4-yl]amino]acetonitrile
CID 115264894
3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 126848090
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile?
The IUPAC name of 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile (CID 115266206) is 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile.
What is the SMILES notation for 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile?
The canonical SMILES for 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile is CN(CC#N)c1cc(N(C)C2CCCC2)ncn1.
What is the InChIKey of 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile?
The InChIKey is RWRRJKDYJMNUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-17(8-7-14)12-9-13(16-10-15-12)18(2)11-5-3-4-6-11/h9-11H,3-6,8H2,1-2H3.
What are the key properties of 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile?
2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]-methylamino]acetonitrile is sourced from PubChem (CID 115266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).