4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide

C10H12N6O2 — CID 136721552

IUPAC4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCCc1nc(-n2cc(N)c(C(N)=O)n2)cc(=O)[nH]1
InChIInChI=1S/C10H12N6O2/c1-2-6-13-7(3-8(17)14-6)16-4-5(11)9(15-16)10(12)18/h3-4H,2,11H2,1H3,(H2,12,18)(H,13,14,17)
InChIKeyPXLOMJJLWGWKLC-UHFFFAOYSA-N
MW248.25 g/mol
LogP-0.80
Rot. Bonds3

About 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide

4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 136721552) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID136721552
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide
SMILESCCc1nc(-n2cc(N)c(C(N)=O)n2)cc(=O)[nH]1
InChIInChI=1S/C10H12N6O2/c1-2-6-13-7(3-8(17)14-6)16-4-5(11)9(15-16)10(12)18/h3-4H,2,11H2,1H3,(H2,12,18)(H,13,14,17)
InChIKeyPXLOMJJLWGWKLC-UHFFFAOYSA-N
XLogP-0.80
TPSA132.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide (CID 136721552) is 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide is CCc1nc(-n2cc(N)c(C(N)=O)n2)cc(=O)[nH]1.
What is the InChIKey of 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is PXLOMJJLWGWKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c1-2-6-13-7(3-8(17)14-6)16-4-5(11)9(15-16)10(12)18/h3-4H,2,11H2,1H3,(H2,12,18)(H,13,14,17).
What are the key properties of 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide?
4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 248.25 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 136721552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).