5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide

C10H12N6O — CID 83241649

IUPAC5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(-n2ncc(C(N)=O)c2N)nc(C)n1
InChIInChI=1S/C10H12N6O/c1-5-3-8(15-6(2)14-5)16-9(11)7(4-13-16)10(12)17/h3-4H,11H2,1-2H3,(H2,12,17)
InChIKeyMKSWEYLDYBKNCQ-UHFFFAOYSA-N
MW232.25 g/mol
LogP-0.04
Rot. Bonds2

About 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide

5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 83241649) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID83241649
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCc1cc(-n2ncc(C(N)=O)c2N)nc(C)n1
InChIInChI=1S/C10H12N6O/c1-5-3-8(15-6(2)14-5)16-9(11)7(4-13-16)10(12)17/h3-4H,11H2,1-2H3,(H2,12,17)
InChIKeyMKSWEYLDYBKNCQ-UHFFFAOYSA-N
XLogP-0.04
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 83241649) is 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide is Cc1cc(-n2ncc(C(N)=O)c2N)nc(C)n1.
What is the InChIKey of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is MKSWEYLDYBKNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-5-3-8(15-6(2)14-5)16-9(11)7(4-13-16)10(12)17/h3-4H,11H2,1-2H3,(H2,12,17).
What are the key properties of 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide?
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 83241649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).