1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide

C11H14N6O — CID 80988907

IUPAC1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1nc(N)c(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C11H14N6O/c1-3-8-15-9(12)6(2)11(16-8)17-5-7(4-14-17)10(13)18/h4-5H,3H2,1-2H3,(H2,13,18)(H2,12,15,16)
InChIKeyCIUYDBIQTQSNPF-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.21
Rot. Bonds3

About 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide

1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide (PubChem CID 80988907) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
PubChem CID80988907
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide
SMILESCCc1nc(N)c(C)c(-n2cc(C(N)=O)cn2)n1
InChIInChI=1S/C11H14N6O/c1-3-8-15-9(12)6(2)11(16-8)17-5-7(4-14-17)10(13)18/h4-5H,3H2,1-2H3,(H2,13,18)(H2,12,15,16)
InChIKeyCIUYDBIQTQSNPF-UHFFFAOYSA-N
XLogP0.21
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide (CID 80988907) is 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide is CCc1nc(N)c(C)c(-n2cc(C(N)=O)cn2)n1.
What is the InChIKey of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is CIUYDBIQTQSNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-8-15-9(12)6(2)11(16-8)17-5-7(4-14-17)10(13)18/h4-5H,3H2,1-2H3,(H2,13,18)(H2,12,15,16).
What are the key properties of 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide?
1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-2-ethyl-5-methylpyrimidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80988907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).