1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

C10H12N6O — CID 80868515

IUPAC1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCNc1ncc(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H12N6O/c1-6-3-13-10(12-2)15-9(6)16-5-7(4-14-16)8(11)17/h3-5H,1-2H3,(H2,11,17)(H,12,13,15)
InChIKeyXJSMNZVEYNUHAK-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.11
Rot. Bonds3

About 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80868515) has the molecular formula C10H12N6O and a molecular weight of 232.25 g/mol. Its IUPAC name is 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80868515
Molecular FormulaC10H12N6O
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCNc1ncc(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C10H12N6O/c1-6-3-13-10(12-2)15-9(6)16-5-7(4-14-16)8(11)17/h3-5H,1-2H3,(H2,11,17)(H,12,13,15)
InChIKeyXJSMNZVEYNUHAK-UHFFFAOYSA-N
XLogP0.11
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (CID 80868515) is 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is CNc1ncc(C)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is XJSMNZVEYNUHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O/c1-6-3-13-10(12-2)15-9(6)16-5-7(4-14-16)8(11)17/h3-5H,1-2H3,(H2,11,17)(H,12,13,15).
What are the key properties of 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 232.25 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80868515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).