N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H19N3O5 — CID 56766063

IUPACN-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOC(CNC(=O)c1c[nH]c(=O)n(C)c1=O)OCC
InChIInChI=1S/C12H19N3O5/c1-4-19-9(20-5-2)7-13-10(16)8-6-14-12(18)15(3)11(8)17/h6,9H,4-5,7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeySWNXFUHDARUYLY-UHFFFAOYSA-N
MW285.30 g/mol
LogP-0.80
Rot. Bonds7

About N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 56766063) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID56766063
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC NameN-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCCOC(CNC(=O)c1c[nH]c(=O)n(C)c1=O)OCC
InChIInChI=1S/C12H19N3O5/c1-4-19-9(20-5-2)7-13-10(16)8-6-14-12(18)15(3)11(8)17/h6,9H,4-5,7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeySWNXFUHDARUYLY-UHFFFAOYSA-N
XLogP-0.80
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 56766063) is N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is CCOC(CNC(=O)c1c[nH]c(=O)n(C)c1=O)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SWNXFUHDARUYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-4-19-9(20-5-2)7-13-10(16)8-6-14-12(18)15(3)11(8)17/h6,9H,4-5,7H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of -0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56766063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).