3-butylchromeno[2,3-d]pyrimidine-2,4-dione

C15H14N2O3 — CID 70676792

IUPAC3-butylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C15H14N2O3/c1-2-3-8-17-14(18)11-9-10-6-4-5-7-12(10)20-13(11)16-15(17)19/h4-7,9H,2-3,8H2,1H3
InChIKeyCSIRECVJZHJYBL-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.25
Rot. Bonds3

About 3-butylchromeno[2,3-d]pyrimidine-2,4-dione

3-butylchromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 70676792) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-butylchromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-butylchromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID70676792
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-butylchromeno[2,3-d]pyrimidine-2,4-dione
SMILESCCCCn1c(=O)nc2oc3ccccc3cc-2c1=O
InChIInChI=1S/C15H14N2O3/c1-2-3-8-17-14(18)11-9-10-6-4-5-7-12(10)20-13(11)16-15(17)19/h4-7,9H,2-3,8H2,1H3
InChIKeyCSIRECVJZHJYBL-UHFFFAOYSA-N
XLogP2.25
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-butylchromeno[2,3-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-butylchromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-butylchromeno[2,3-d]pyrimidine-2,4-dione (CID 70676792) is 3-butylchromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-butylchromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-butylchromeno[2,3-d]pyrimidine-2,4-dione is CCCCn1c(=O)nc2oc3ccccc3cc-2c1=O.
What is the InChIKey of 3-butylchromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CSIRECVJZHJYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-3-8-17-14(18)11-9-10-6-4-5-7-12(10)20-13(11)16-15(17)19/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 3-butylchromeno[2,3-d]pyrimidine-2,4-dione?
3-butylchromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 270.29 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylchromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 70676792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).