3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione

C9H15N2O2P — CID 58295004

IUPAC3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC)c(=O)n1PC
InChIInChI=1S/C9H15N2O2P/c1-4-7-6-8(12)10(5-2)9(13)11(7)14-3/h6,14H,4-5H2,1-3H3
InChIKeyDCKJTTWVBPGSDB-UHFFFAOYSA-N
MW214.20 g/mol
LogP0.66
Rot. Bonds3

About 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione

3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione (PubChem CID 58295004) has the molecular formula C9H15N2O2P and a molecular weight of 214.20 g/mol. Its IUPAC name is 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione
PubChem CID58295004
Molecular FormulaC9H15N2O2P
Molecular Weight214.20 g/mol
Exact Mass214.09
IUPAC Name3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione
SMILESCCc1cc(=O)n(CC)c(=O)n1PC
InChIInChI=1S/C9H15N2O2P/c1-4-7-6-8(12)10(5-2)9(13)11(7)14-3/h6,14H,4-5H2,1-3H3
InChIKeyDCKJTTWVBPGSDB-UHFFFAOYSA-N
XLogP0.66
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.20
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-diethyl-1-methylphosphanylpyrimidine-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 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione?
The IUPAC name of 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione (CID 58295004) is 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione.
What is the SMILES notation for 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione?
The canonical SMILES for 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione is CCc1cc(=O)n(CC)c(=O)n1PC.
What is the InChIKey of 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione?
The InChIKey is DCKJTTWVBPGSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O2P/c1-4-7-6-8(12)10(5-2)9(13)11(7)14-3/h6,14H,4-5H2,1-3H3.
What are the key properties of 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione?
3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione has a molecular weight of 214.20 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-methylphosphanylpyrimidine-2,4-dione is sourced from PubChem (CID 58295004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).