3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

C14H14N2O3 — CID 7120060

IUPAC3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H14N2O3/c1-2-3-8-16-13(17)12-11(15-14(16)18)9-6-4-5-7-10(9)19-12/h4-7H,2-3,8H2,1H3,(H,15,18)
InChIKeyHPHOTZBOMGGTFR-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.24
Rot. Bonds3

About 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione

3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (PubChem CID 7120060) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
PubChem CID7120060
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)[nH]c2c(oc3ccccc32)c1=O
InChIInChI=1S/C14H14N2O3/c1-2-3-8-16-13(17)12-11(15-14(16)18)9-6-4-5-7-10(9)19-12/h4-7H,2-3,8H2,1H3,(H,15,18)
InChIKeyHPHOTZBOMGGTFR-UHFFFAOYSA-N
XLogP2.24
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-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 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione (CID 7120060) is 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is CCCCn1c(=O)[nH]c2c(oc3ccccc32)c1=O.
What is the InChIKey of 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
The InChIKey is HPHOTZBOMGGTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-3-8-16-13(17)12-11(15-14(16)18)9-6-4-5-7-10(9)19-12/h4-7H,2-3,8H2,1H3,(H,15,18).
What are the key properties of 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione?
3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1H-[1]benzofuro[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 7120060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).