5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione

C8H12N2O4 — CID 57397904

IUPAC5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(CCO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-14-5-10-4-6(2-3-11)7(12)9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,12,13)
InChIKeyIJNAFILMXLQWFD-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.32
Rot. Bonds4

About 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione

5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione (PubChem CID 57397904) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
PubChem CID57397904
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione
SMILESCOCn1cc(CCO)c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O4/c1-14-5-10-4-6(2-3-11)7(12)9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,12,13)
InChIKeyIJNAFILMXLQWFD-UHFFFAOYSA-N
XLogP-1.32
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(Z)-1-{[2,2-Bis(hydroxymethyl)cyclopropylidene]methyl}thymine
CID 6319959
1-[(Z)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 11253110
(E)-1-{[2,2-bis-(hydroxymethyl)-cyclopropylidene]methyl}thymine
CID 5271343
5-Ethyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
CID 10727347
2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl Acetate
CID 10465329
(E)-1-(2-Hydroxymethylcyclopropylidenemethyl)thymidine
CID 469805
1-(2-Fluoro-2-hydroxymethyl-cyclopropylidenemethyl)-5-methyl-1H-pyrimidine-2,4-dione
CID 5273937
1-(1,3-Dihydroxypropan-2-yloxymethyl)-5-(2-hydroxyethyl)pyrimidine-2,4-dione
CID 44412229
1-[Hydroxy-3-(hydroxymethyl)but-1-yl]-5-methyluracil
CID 3011856
5-(2-Hydroxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 352846
5-(2-Hydroxypropyl)pyrimidine-2,4(1H,3H)-dione
CID 299875
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 6536769

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione (CID 57397904) is 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione is COCn1cc(CCO)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
The InChIKey is IJNAFILMXLQWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-14-5-10-4-6(2-3-11)7(12)9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,12,13).
What are the key properties of 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione?
5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione has a molecular weight of 200.19 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-1-(methoxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 57397904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).