2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile

C14H21N5 — CID 115266821

IUPAC2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
SMILESCc1nc(NCC#N)cc(NCC2CCCCC2)n1
InChIInChI=1S/C14H21N5/c1-11-18-13(16-8-7-15)9-14(19-11)17-10-12-5-3-2-4-6-12/h9,12H,2-6,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyUEJPCLSWCIHTEY-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.71
Rot. Bonds5

About 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile

2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile (PubChem CID 115266821) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile.

Molecular Properties

Compound Name2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
PubChem CID115266821
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile
SMILESCc1nc(NCC#N)cc(NCC2CCCCC2)n1
InChIInChI=1S/C14H21N5/c1-11-18-13(16-8-7-15)9-14(19-11)17-10-12-5-3-2-4-6-12/h9,12H,2-6,8,10H2,1H3,(H2,16,17,18,19)
InChIKeyUEJPCLSWCIHTEY-UHFFFAOYSA-N
XLogP2.71
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
N-(cyclopropylmethyl)-2,6-dimethylpyrimidin-4-amine
CID 60732015
N-(cyclobutylmethyl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326683
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
2-[[6-(oxan-4-ylmethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264871
2-[[6-(2-cyclohexylethylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264917
N-(cyclopropylmethyl)-2-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171993956
4-N-(cyclopentylmethyl)-2-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
CID 80967316
4-[[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138816
4-N-(cyclohexylmethyl)-6-N-ethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967492
N-[(4-ethylcyclohexyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66324640
3-[[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 106138429

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile?
The IUPAC name of 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile (CID 115266821) is 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile.
What is the SMILES notation for 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile?
The canonical SMILES for 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile is Cc1nc(NCC#N)cc(NCC2CCCCC2)n1.
What is the InChIKey of 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile?
The InChIKey is UEJPCLSWCIHTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11-18-13(16-8-7-15)9-14(19-11)17-10-12-5-3-2-4-6-12/h9,12H,2-6,8,10H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile?
2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile has a molecular weight of 259.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(cyclohexylmethylamino)-2-methylpyrimidin-4-yl]amino]acetonitrile is sourced from PubChem (CID 115266821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).