N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide

C13H14N6O — CID 17122104

IUPACN-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C13H14N6O/c1-7-5-8(2)16-13(15-7)19-12(17-10(4)20)11(6-14)9(3)18-19/h5H,1-4H3,(H,17,20)
InChIKeyRABFNWYSMQSJAE-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.42
Rot. Bonds2

About N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide

N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide (PubChem CID 17122104) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide
PubChem CID17122104
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC NameN-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C13H14N6O/c1-7-5-8(2)16-13(15-7)19-12(17-10(4)20)11(6-14)9(3)18-19/h5H,1-4H3,(H,17,20)
InChIKeyRABFNWYSMQSJAE-UHFFFAOYSA-N
XLogP1.42
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 2332242
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-pyrrolidin-1-ylpyrimidin-4-yl]acetamide
CID 24989637
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 2387118
N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25210254
N-[2-(3,5-Dimethylpyrazol-1-yl)-6-piperidin-1-ylpyrimidin-4-yl]acetamide
CID 25210255
1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135512365
2-chloro-N-(1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 2369050
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 57394595
N-[6-chloro-2-(3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-4-yl]acetamide
CID 144858877
2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 667725
N-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 716726
N-(4,6-bis(3,5-dimethyl-1h-pyrazol-1-yl)pyrimidine-2-yl) propionamide
CID 129833202

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide?
The IUPAC name of N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide (CID 17122104) is N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide is CC(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide?
The InChIKey is RABFNWYSMQSJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-7-5-8(2)16-13(15-7)19-12(17-10(4)20)11(6-14)9(3)18-19/h5H,1-4H3,(H,17,20).
What are the key properties of N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide?
N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide has a molecular weight of 270.30 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 17122104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).