1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione

C10H14N2O4S — CID 57012135

IUPAC1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2(CO)CSCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-7-4-12(9(15)11-8(7)14)10(5-13)6-17-3-2-16-10/h4,13H,2-3,5-6H2,1H3,(H,11,14,15)
InChIKeyCIPAANMTXBNWPD-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.75
Rot. Bonds2

About 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione

1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 57012135) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione
PubChem CID57012135
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2(CO)CSCCO2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4S/c1-7-4-12(9(15)11-8(7)14)10(5-13)6-17-3-2-16-10/h4,13H,2-3,5-6H2,1H3,(H,11,14,15)
InChIKeyCIPAANMTXBNWPD-UHFFFAOYSA-N
XLogP-0.75
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione (CID 57012135) is 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2(CO)CSCCO2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is CIPAANMTXBNWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-7-4-12(9(15)11-8(7)14)10(5-13)6-17-3-2-16-10/h4,13H,2-3,5-6H2,1H3,(H,11,14,15).
What are the key properties of 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione?
1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 258.30 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 57012135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).