4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile

C15H15N5 — CID 112867629

IUPAC4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(NC2CC2)n1
InChIInChI=1S/C15H15N5/c1-10-17-14(8-15(18-10)20-13-6-7-13)19-12-4-2-11(9-16)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXKRJTVZQXWCHT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.97
Rot. Bonds4

About 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile

4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile (PubChem CID 112867629) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
PubChem CID112867629
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
SMILESCc1nc(Nc2ccc(C#N)cc2)cc(NC2CC2)n1
InChIInChI=1S/C15H15N5/c1-10-17-14(8-15(18-10)20-13-6-7-13)19-12-4-2-11(9-16)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXKRJTVZQXWCHT-UHFFFAOYSA-N
XLogP2.97
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]amino]benzonitrile
CID 112879566
3-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112868777
4-N-cyclohexyl-2-methyl-6-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 112869053
4-[[6-(4-cyanoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193354
4-[[2-methyl-6-(3-methylbutylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112876232
methyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112867586
4-[[6-(3-chloroanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112878011
4-[[6-(2,5-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877401
4-N-cyclohexyl-6-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112869059
4-[[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193209
4-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877571
4-N-cyclopentyl-2-methyl-6-N-(4-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112868724

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The IUPAC name of 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile (CID 112867629) is 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The canonical SMILES for 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile is Cc1nc(Nc2ccc(C#N)cc2)cc(NC2CC2)n1.
What is the InChIKey of 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
The InChIKey is UXKRJTVZQXWCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-17-14(8-15(18-10)20-13-6-7-13)19-12-4-2-11(9-16)3-5-12/h2-5,8,13H,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile?
4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile has a molecular weight of 265.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 112867629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).