1,3-dimethyl-5-propylpyrimidine-2,4-dione

C9H14N2O2 — CID 71418704

IUPAC1,3-dimethyl-5-propylpyrimidine-2,4-dione
SMILESCCCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6-10(2)9(13)11(3)8(7)12/h6H,4-5H2,1-3H3
InChIKeyATVGUGAIBQWUIZ-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.04
Rot. Bonds2

About 1,3-dimethyl-5-propylpyrimidine-2,4-dione

1,3-dimethyl-5-propylpyrimidine-2,4-dione (PubChem CID 71418704) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1,3-dimethyl-5-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-propylpyrimidine-2,4-dione
PubChem CID71418704
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1,3-dimethyl-5-propylpyrimidine-2,4-dione
SMILESCCCc1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14N2O2/c1-4-5-7-6-10(2)9(13)11(3)8(7)12/h6H,4-5H2,1-3H3
InChIKeyATVGUGAIBQWUIZ-UHFFFAOYSA-N
XLogP0.04
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 ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-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

Related Compounds

5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
CID 899353
5-Propyluracil
CID 73269
2,4(1H,3H)-Pyrimidinedione, 5-butyl-
CID 94985
1,3-Dimethyl-5-ethyluracil
CID 141656
Uracil, 1-allyl-6-chloro-3-methyl-5-propyl-
CID 205925
Uracil, 1-allyl-6-chloro-3-ethyl-5-propyl-
CID 205926
Uracil, 1-allyl-3-ethyl-5-propyl-
CID 210803
Uracil, 1-allyl-3-methyl-5-propyl-
CID 212854
5-(1,1-Difluoroethyl)-1,3-dimethylpyrimidine-2,4-dione
CID 118332950
1,3-Dimethyl-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyrimidine-2,4-dione
CID 164681703
5-sec-Butyluracil
CID 587021

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-propylpyrimidine-2,4-dione (CID 71418704) is 1,3-dimethyl-5-propylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-propylpyrimidine-2,4-dione is CCCc1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-propylpyrimidine-2,4-dione?
The InChIKey is ATVGUGAIBQWUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-4-5-7-6-10(2)9(13)11(3)8(7)12/h6H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-propylpyrimidine-2,4-dione?
1,3-dimethyl-5-propylpyrimidine-2,4-dione has a molecular weight of 182.22 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-propylpyrimidine-2,4-dione is sourced from PubChem (CID 71418704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).