3,6-dimethyl-1-propylpyrimidine-2,4-dione

C9H14N2O2 — CID 91622846

IUPAC3,6-dimethyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-11-7(2)6-8(12)10(3)9(11)13/h6H,4-5H2,1-3H3
InChIKeyMWGBCTLNLAQVJE-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.27
Rot. Bonds2

About 3,6-dimethyl-1-propylpyrimidine-2,4-dione

3,6-dimethyl-1-propylpyrimidine-2,4-dione (PubChem CID 91622846) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,6-dimethyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-propylpyrimidine-2,4-dione
PubChem CID91622846
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3,6-dimethyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-11-7(2)6-8(12)10(3)9(11)13/h6H,4-5H2,1-3H3
InChIKeyMWGBCTLNLAQVJE-UHFFFAOYSA-N
XLogP0.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dimethyl-1-propylpyrimidine-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-dimethyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-propylpyrimidine-2,4-dione (CID 91622846) is 3,6-dimethyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-propylpyrimidine-2,4-dione is CCCn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 3,6-dimethyl-1-propylpyrimidine-2,4-dione?
The InChIKey is MWGBCTLNLAQVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-11-7(2)6-8(12)10(3)9(11)13/h6H,4-5H2,1-3H3.
What are the key properties of 3,6-dimethyl-1-propylpyrimidine-2,4-dione?
3,6-dimethyl-1-propylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 91622846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).