1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide

C8H11N3O4 — CID 142894564

IUPAC1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOCCn1cc(C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-11-4-5(6(9)12)7(13)10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,13,14)
InChIKeyYSJMZCMKCYTXIW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.72
Rot. Bonds4

About 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide

1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 142894564) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID142894564
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCOCCn1cc(C(N)=O)c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-11-4-5(6(9)12)7(13)10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,13,14)
InChIKeyYSJMZCMKCYTXIW-UHFFFAOYSA-N
XLogP-1.72
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrimidine-2,4-dione, 1-(2,2-dimethoxyethyl)-5-methyl-
CID 712760
5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12692638
6-((2-Methoxyethyl)amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 28468159
1-(2-Azidoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 14843058
Ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 565853
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 12458448
2-Hydroxyethyl-dimethyl-[2-[(5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]ethyl]ammonium
CID 462760
methyl N-(1-methyl-2,4-dioxopyrimidine-5-carbonyl)carbamate
CID 901779
1-(2-Aminoethoxymethyl)-5-methylpyrimidine-2,4-dione
CID 21787104
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate
CID 367417

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide (CID 142894564) is 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide is COCCn1cc(C(N)=O)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is YSJMZCMKCYTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-3-2-11-4-5(6(9)12)7(13)10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,13,14).
What are the key properties of 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 213.19 g/mol, XLogP of -1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 142894564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).