5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione

C13H16N2O4 — CID 58187634

IUPAC5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=C1NC(=O)c2c(CCCC)cc(=O)oc2N1OC
InChIInChI=1S/C13H16N2O4/c1-4-5-6-9-7-10(16)19-13-11(9)12(17)14-8(2)15(13)18-3/h7H,2,4-6H2,1,3H3,(H,14,17)
InChIKeyCSOZVGSKZGVNBI-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.56
Rot. Bonds4

About 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione

5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 58187634) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
PubChem CID58187634
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
SMILESC=C1NC(=O)c2c(CCCC)cc(=O)oc2N1OC
InChIInChI=1S/C13H16N2O4/c1-4-5-6-9-7-10(16)19-13-11(9)12(17)14-8(2)15(13)18-3/h7H,2,4-6H2,1,3H3,(H,14,17)
InChIKeyCSOZVGSKZGVNBI-UHFFFAOYSA-N
XLogP1.56
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

1,5-diethyl-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione
CID 58187635
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-butyl-6-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187734
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-butyl-5-(2-fluoroethoxy)-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one
CID 58187701
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
ethyl 4-butyl-2-oxo-7H-pyrano[2,3-c]pyrrole-5-carboxylate
CID 58455620
4-butyl-3-ethoxy-1H-pyrano[3,2-d]pyrazol-6-one
CID 46701432
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione (CID 58187634) is 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione is C=C1NC(=O)c2c(CCCC)cc(=O)oc2N1OC.
What is the InChIKey of 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
The InChIKey is CSOZVGSKZGVNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-5-6-9-7-10(16)19-13-11(9)12(17)14-8(2)15(13)18-3/h7H,2,4-6H2,1,3H3,(H,14,17).
What are the key properties of 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione?
5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 264.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methoxy-2-methylidenepyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 58187634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).