6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one

C12H16N2O3 — CID 71474987

IUPAC6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCc1cc2cn(COC)c(=O)nc2o1
InChIInChI=1S/C12H16N2O3/c1-3-4-5-10-6-9-7-14(8-16-2)12(15)13-11(9)17-10/h6-7H,3-5,8H2,1-2H3
InChIKeyNEWOUDBQGDDKEN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.94
Rot. Bonds5

About 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one

6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one (PubChem CID 71474987) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
PubChem CID71474987
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one
SMILESCCCCc1cc2cn(COC)c(=O)nc2o1
InChIInChI=1S/C12H16N2O3/c1-3-4-5-10-6-9-7-14(8-16-2)12(15)13-11(9)17-10/h6-7H,3-5,8H2,1-2H3
InChIKeyNEWOUDBQGDDKEN-UHFFFAOYSA-N
XLogP1.94
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one 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 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one (CID 71474987) is 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one is CCCCc1cc2cn(COC)c(=O)nc2o1.
What is the InChIKey of 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one?
The InChIKey is NEWOUDBQGDDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-4-5-10-6-9-7-14(8-16-2)12(15)13-11(9)17-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one?
6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-(methoxymethyl)furo[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 71474987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).