2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile

C14H15N5 — CID 80941607

IUPAC2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCCc1nc(N)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGPKNUMTZYMVIOL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.26
Rot. Bonds3

About 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile

2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile (PubChem CID 80941607) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
PubChem CID80941607
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCCc1nc(N)cc(N(C)c2ccccc2C#N)n1
InChIInChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18)
InChIKeyGPKNUMTZYMVIOL-UHFFFAOYSA-N
XLogP2.26
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80852105
2-[(6-amino-2-ethylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 80933068
2-ethyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80934677
2-[(6-hydrazinyl-2-pyridinyl)-methylamino]benzonitrile
CID 80926117
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]benzonitrile
CID 80852633
2-[methyl-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]benzonitrile
CID 80955643
2-ethyl-6-hydrazinyl-N-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80937218
2-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-methylamino]benzonitrile
CID 80839058
4-N-(2,2-dimethylpropyl)-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80934465
4-N-cyclopropyl-2-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80933693
2-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933289

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The IUPAC name of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile (CID 80941607) is 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile is CCc1nc(N)cc(N(C)c2ccccc2C#N)n1.
What is the InChIKey of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
The InChIKey is GPKNUMTZYMVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-3-13-17-12(16)8-14(18-13)19(2)11-7-5-4-6-10(11)9-15/h4-8H,3H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile?
2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-ethylpyrimidin-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 80941607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).