6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C6H7N3O3 — CID 4594679

IUPAC6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(N)=O
InChIInChI=1S/C6H7N3O3/c1-2-3(4(7)10)5(11)9-6(12)8-2/h1H3,(H2,7,10)(H2,8,9,11,12)
InChIKeyHEQHWPZJSGWBRG-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.53
Rot. Bonds1

About 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 4594679) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID4594679
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC Name6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1C(N)=O
InChIInChI=1S/C6H7N3O3/c1-2-3(4(7)10)5(11)9-6(12)8-2/h1H3,(H2,7,10)(H2,8,9,11,12)
InChIKeyHEQHWPZJSGWBRG-UHFFFAOYSA-N
XLogP-1.53
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 4594679) is 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is Cc1[nH]c(=O)[nH]c(=O)c1C(N)=O.
What is the InChIKey of 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is HEQHWPZJSGWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-2-3(4(7)10)5(11)9-6(12)8-2/h1H3,(H2,7,10)(H2,8,9,11,12).
What are the key properties of 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 4594679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).