1-methyl-2,4-dioxopyrimidine-5-carboxamide

C6H7N3O3 — CID 12692638

IUPAC1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-9-2-3(4(7)10)5(11)8-6(9)12/h2H,1H3,(H2,7,10)(H,8,11,12)
InChIKeyHKELWXCXPBFGRR-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.83
Rot. Bonds1

About 1-methyl-2,4-dioxopyrimidine-5-carboxamide

1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 12692638) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID12692638
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-9-2-3(4(7)10)5(11)8-6(9)12/h2H,1H3,(H2,7,10)(H,8,11,12)
InChIKeyHKELWXCXPBFGRR-UHFFFAOYSA-N
XLogP-1.83
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 12692638) is 1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is HKELWXCXPBFGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9-2-3(4(7)10)5(11)8-6(9)12/h2H,1H3,(H2,7,10)(H,8,11,12).
What are the key properties of 1-methyl-2,4-dioxopyrimidine-5-carboxamide?
1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 12692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).