1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

C12H16N6O — CID 80989030

IUPAC1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1nc(NC)c(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C12H16N6O/c1-4-9-16-11(14-3)7(2)12(17-9)18-6-8(5-15-18)10(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,16,17)
InChIKeyONUCYXUOHPCWSN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide

1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (PubChem CID 80989030) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
PubChem CID80989030
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
SMILESCCc1nc(NC)c(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C12H16N6O/c1-4-9-16-11(14-3)7(2)12(17-9)18-6-8(5-15-18)10(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,16,17)
InChIKeyONUCYXUOHPCWSN-UHFFFAOYSA-N
XLogP0.67
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide (CID 80989030) is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is CCc1nc(NC)c(C)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is ONUCYXUOHPCWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-4-9-16-11(14-3)7(2)12(17-9)18-6-8(5-15-18)10(13)19/h5-6H,4H2,1-3H3,(H2,13,19)(H,14,16,17).
What are the key properties of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide?
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 80989030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).