5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile

C11H11ClN6 — CID 108775345

IUPAC5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile
SMILESCCc1nc(Cl)cc(Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C11H11ClN6/c1-3-9-15-8(12)4-10(16-9)17-11-7(5-13)6-14-18(11)2/h4,6H,3H2,1-2H3,(H,15,16,17)
InChIKeyVYQMWEYLPZYMMA-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.04
Rot. Bonds3

About 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile

5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile (PubChem CID 108775345) has the molecular formula C11H11ClN6 and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile
PubChem CID108775345
Molecular FormulaC11H11ClN6
Molecular Weight262.70 g/mol
Exact Mass262.07
IUPAC Name5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile
SMILESCCc1nc(Cl)cc(Nc2c(C#N)cnn2C)n1
InChIInChI=1S/C11H11ClN6/c1-3-9-15-8(12)4-10(16-9)17-11-7(5-13)6-14-18(11)2/h4,6H,3H2,1-2H3,(H,15,16,17)
InChIKeyVYQMWEYLPZYMMA-UHFFFAOYSA-N
XLogP2.04
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carbonitrile
CID 108779233
4-chloro-2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]benzonitrile
CID 80935656
1-methyl-5-[(6-methylpyrimidin-4-yl)amino]pyrazole-4-carbonitrile
CID 108775308
6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
N-(2-bromo-4-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80943383
4-[[(6-chloro-2-ethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 80935909
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-quinolin-2-ylpyrazole-4-carbonitrile
CID 108779168
ethyl 5-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carboxylate
CID 108775899
6-chloro-N-(3,4-dimethylphenyl)-2-ethylpyrimidin-4-amine
CID 80944911
4-chloro-2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]benzonitrile
CID 80937547
6-chloro-2-ethyl-N-pentan-3-ylpyrimidin-4-amine
CID 80944320
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781

Frequently Asked Questions

What is the IUPAC name of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile (CID 108775345) is 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile is CCc1nc(Cl)cc(Nc2c(C#N)cnn2C)n1.
What is the InChIKey of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile?
The InChIKey is VYQMWEYLPZYMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6/c1-3-9-15-8(12)4-10(16-9)17-11-7(5-13)6-14-18(11)2/h4,6H,3H2,1-2H3,(H,15,16,17).
What are the key properties of 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile?
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile has a molecular weight of 262.70 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 108775345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).