3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile

C15H15N5 — CID 80958140

IUPAC3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H15N5/c1-20(12-4-2-3-10(7-12)9-16)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19)
InChIKeyJXGLDSCVOXZCMA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.58
Rot. Bonds3

About 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile

3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile (PubChem CID 80958140) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile.

Molecular Properties

Compound Name3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
PubChem CID80958140
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile
SMILESCN(c1cccc(C#N)c1)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C15H15N5/c1-20(12-4-2-3-10(7-12)9-16)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19)
InChIKeyJXGLDSCVOXZCMA-UHFFFAOYSA-N
XLogP2.58
TPSA78.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-N-(3-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 80957673
3-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102718398
3-[(6-aminopyrazin-2-yl)-methylamino]benzonitrile
CID 80648145
3-(6-amino-2-cyclopropylpyrimidin-4-yl)oxybenzonitrile
CID 80965784
2-chloro-6-(3-cyano-N-methylanilino)pyridine-4-carbonitrile
CID 83076502
3-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]benzonitrile
CID 102715859
2-cyclopropyl-4-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80957882
3-[(5-amino-6-ethoxy-2-pyridinyl)-methylamino]benzonitrile
CID 62981428
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile?
The IUPAC name of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile (CID 80958140) is 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile.
What is the SMILES notation for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile?
The canonical SMILES for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile is CN(c1cccc(C#N)c1)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile?
The InChIKey is JXGLDSCVOXZCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-20(12-4-2-3-10(7-12)9-16)14-8-13(17)18-15(19-14)11-5-6-11/h2-4,7-8,11H,5-6H2,1H3,(H2,17,18,19).
What are the key properties of 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile?
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]benzonitrile is sourced from PubChem (CID 80958140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).