3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C8H11N3O4 — CID 162426021

IUPAC3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCCn1c(=O)[nH]cc(C(N)=O)c1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-11-7(13)5(6(9)12)4-10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,14)
InChIKeyOHSJSKNBFSTWTB-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.72
Rot. Bonds4

About 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 162426021) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID162426021
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCCn1c(=O)[nH]cc(C(N)=O)c1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-11-7(13)5(6(9)12)4-10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,14)
InChIKeyOHSJSKNBFSTWTB-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

5-(4-Morpholinylmethyl)-2,4-pyrimidinediol
CID 235247
6-((2-Methoxyethyl)amino)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CID 28468159
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
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate
CID 367417
5-(Morpholin-4-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 21177786
5-[(2,2-dimethylmorpholin-4-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione
CID 90648187
5-[(3S)-3-propylmorpholine-4-carbonyl]-1H-pyrimidine-2,4-dione
CID 95219842
1-[2-(Ethenyloxy)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 71327942
Ethyl 2-[5-(aminomethyl)-2,4-dioxopyrimidin-1-yl]acetate
CID 123627599

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 162426021) is 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COCCn1c(=O)[nH]cc(C(N)=O)c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is OHSJSKNBFSTWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-3-2-11-7(13)5(6(9)12)4-10-8(11)14/h4H,2-3H2,1H3,(H2,9,12)(H,10,14).
What are the key properties of 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-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 3-(2-methoxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 162426021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).