3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide

C5H6N4O3 — CID 141400473

IUPAC3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H6N4O3/c6-3(10)2-1-8-5(12)9(7)4(2)11/h1H,7H2,(H2,6,10)(H,8,12)
InChIKeyTVTZLOIJNCNFEI-UHFFFAOYSA-N
MW170.13 g/mol
LogP-2.65
Rot. Bonds1

About 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 141400473) has the molecular formula C5H6N4O3 and a molecular weight of 170.13 g/mol. Its IUPAC name is 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID141400473
Molecular FormulaC5H6N4O3
Molecular Weight170.13 g/mol
Exact Mass170.04
IUPAC Name3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESNC(=O)c1c[nH]c(=O)n(N)c1=O
InChIInChI=1S/C5H6N4O3/c6-3(10)2-1-8-5(12)9(7)4(2)11/h1H,7H2,(H2,6,10)(H,8,12)
InChIKeyTVTZLOIJNCNFEI-UHFFFAOYSA-N
XLogP-2.65
TPSA123.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 5-2.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 141400473) is 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide is NC(=O)c1c[nH]c(=O)n(N)c1=O.
What is the InChIKey of 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is TVTZLOIJNCNFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O3/c6-3(10)2-1-8-5(12)9(7)4(2)11/h1H,7H2,(H2,6,10)(H,8,12).
What are the key properties of 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 170.13 g/mol, XLogP of -2.65, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 141400473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).