5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione

C8H12N2O4 — CID 57392618

IUPAC5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOCn1c(=O)[nH]cc(CCO)c1=O
InChIInChI=1S/C8H12N2O4/c1-14-5-10-7(12)6(2-3-11)4-9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,13)
InChIKeyWVCUWEKPQZWKEJ-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.32
Rot. Bonds4

About 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione

5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 57392618) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID57392618
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione
SMILESCOCn1c(=O)[nH]cc(CCO)c1=O
InChIInChI=1S/C8H12N2O4/c1-14-5-10-7(12)6(2-3-11)4-9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,13)
InChIKeyWVCUWEKPQZWKEJ-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione (CID 57392618) is 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione is COCn1c(=O)[nH]cc(CCO)c1=O.
What is the InChIKey of 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is WVCUWEKPQZWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c1-14-5-10-7(12)6(2-3-11)4-9-8(10)13/h4,11H,2-3,5H2,1H3,(H,9,13).
What are the key properties of 5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione?
5-(2-hydroxyethyl)-3-(methoxymethyl)-1H-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)-3-(methoxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 57392618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).