3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C7H9N3O4 — CID 66988333

IUPAC3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCNc1[nH]c(=O)n(C)c(=O)c1C(=O)O
InChIInChI=1S/C7H9N3O4/c1-8-4-3(6(12)13)5(11)10(2)7(14)9-4/h8H,1-2H3,(H,9,14)(H,12,13)
InChIKeyIVTMOLUPFAFJTE-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.19
Rot. Bonds2

About 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 66988333) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID66988333
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCNc1[nH]c(=O)n(C)c(=O)c1C(=O)O
InChIInChI=1S/C7H9N3O4/c1-8-4-3(6(12)13)5(11)10(2)7(14)9-4/h8H,1-2H3,(H,9,14)(H,12,13)
InChIKeyIVTMOLUPFAFJTE-UHFFFAOYSA-N
XLogP-1.19
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 66988333) is 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is CNc1[nH]c(=O)n(C)c(=O)c1C(=O)O.
What is the InChIKey of 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is IVTMOLUPFAFJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-8-4-3(6(12)13)5(11)10(2)7(14)9-4/h8H,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 199.17 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 66988333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).