3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile

C15H15ClN4 — CID 80973323

IUPAC3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1nc(Cl)c(C)c(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C15H15ClN4/c1-3-5-13-19-14(16)10(2)15(20-13)18-12-7-4-6-11(8-12)9-17/h4,6-8H,3,5H2,1-2H3,(H,18,19,20)
InChIKeyABBZKZVAGKIWBA-UHFFFAOYSA-N
MW286.77 g/mol
LogP4.01
Rot. Bonds4

About 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile

3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile (PubChem CID 80973323) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
PubChem CID80973323
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC Name3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile
SMILESCCCc1nc(Cl)c(C)c(Nc2cccc(C#N)c2)n1
InChIInChI=1S/C15H15ClN4/c1-3-5-13-19-14(16)10(2)15(20-13)18-12-7-4-6-11(8-12)9-17/h4,6-8H,3,5H2,1-2H3,(H,18,19,20)
InChIKeyABBZKZVAGKIWBA-UHFFFAOYSA-N
XLogP4.01
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methoxyphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80971215
3-[(2-tert-butyl-6-chloro-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80973324
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
3-[[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80971647
3-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]-4-chlorobenzonitrile
CID 80991950
6-chloro-N-(2-iodophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973608
N-(2-bromo-6-fluorophenyl)-6-chloro-5-methyl-2-propylpyrimidin-4-amine
CID 107602353
N-(3,4-dichlorophenyl)-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 81007312
3-[(2-amino-5-methylpyrimidin-4-yl)amino]benzonitrile
CID 80760475
3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80761291
3-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]benzonitrile
CID 80760907

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile?
The IUPAC name of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile (CID 80973323) is 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile is CCCc1nc(Cl)c(C)c(Nc2cccc(C#N)c2)n1.
What is the InChIKey of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile?
The InChIKey is ABBZKZVAGKIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4/c1-3-5-13-19-14(16)10(2)15(20-13)18-12-7-4-6-11(8-12)9-17/h4,6-8H,3,5H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile?
3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile has a molecular weight of 286.77 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)amino]benzonitrile is sourced from PubChem (CID 80973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).