1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide

C8H10N4O4 — CID 819273

IUPAC1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O4/c1-9-7(15)10-5(13)4-3-12(2)8(16)11-6(4)14/h3H,1-2H3,(H,11,14,16)(H2,9,10,13,15)
InChIKeyPESRCMMSRPHGFP-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.86
Rot. Bonds1

About 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide

1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 819273) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID819273
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O4/c1-9-7(15)10-5(13)4-3-12(2)8(16)11-6(4)14/h3H,1-2H3,(H,11,14,16)(H2,9,10,13,15)
InChIKeyPESRCMMSRPHGFP-UHFFFAOYSA-N
XLogP-1.86
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide (CID 819273) is 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide is CNC(=O)NC(=O)c1cn(C)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is PESRCMMSRPHGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c1-9-7(15)10-5(13)4-3-12(2)8(16)11-6(4)14/h3H,1-2H3,(H,11,14,16)(H2,9,10,13,15).
What are the key properties of 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide?
1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 226.19 g/mol, XLogP of -1.86, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 819273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).