2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide

C9H7N5O3 — CID 110698347

IUPAC2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ncccn1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N5O3/c15-6-4-5(12-9(17)13-6)7(16)14-8-10-2-1-3-11-8/h1-4H,(H,10,11,14,16)(H2,12,13,15,17)
InChIKeyDVXSPQOKQJGZSN-UHFFFAOYSA-N
MW233.19 g/mol
LogP-0.89
Rot. Bonds2

About 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide (PubChem CID 110698347) has the molecular formula C9H7N5O3 and a molecular weight of 233.19 g/mol. Its IUPAC name is 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
PubChem CID110698347
Molecular FormulaC9H7N5O3
Molecular Weight233.19 g/mol
Exact Mass233.05
IUPAC Name2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ncccn1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H7N5O3/c15-6-4-5(12-9(17)13-6)7(16)14-8-10-2-1-3-11-8/h1-4H,(H,10,11,14,16)(H2,12,13,15,17)
InChIKeyDVXSPQOKQJGZSN-UHFFFAOYSA-N
XLogP-0.89
TPSA120.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]pyridine-2-carboxylic acid
CID 104739610
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750
N-(4-acetamidophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698333
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60636479
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 113433788
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 102821067
2-[2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]phenoxy]acetic acid
CID 134433696
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
N-(4-ethylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698301
N-pyrimidin-2-ylbenzamide
CID 638481
N-(3-hydroxy-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 64792716
methyl 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]benzoate
CID 9396061

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide (CID 110698347) is 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide is O=C(Nc1ncccn1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is DVXSPQOKQJGZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3/c15-6-4-5(12-9(17)13-6)7(16)14-8-10-2-1-3-11-8/h1-4H,(H,10,11,14,16)(H2,12,13,15,17).
What are the key properties of 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide has a molecular weight of 233.19 g/mol, XLogP of -0.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-pyrimidin-2-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 110698347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).