6-methyl-5-propyl-1H-pyrimidine-2,4-dione

C8H12N2O2 — CID 3025420

IUPAC6-methyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeySAQFHKPRFNXTBX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.32
Rot. Bonds2

About 6-methyl-5-propyl-1H-pyrimidine-2,4-dione

6-methyl-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 3025420) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-methyl-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID3025420
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-methyl-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeySAQFHKPRFNXTBX-UHFFFAOYSA-N
XLogP0.32
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5-propyl-1H-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 6-methyl-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-methyl-5-propyl-1H-pyrimidine-2,4-dione (CID 3025420) is 6-methyl-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-methyl-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is SAQFHKPRFNXTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-4-6-5(2)9-8(12)10-7(6)11/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 6-methyl-5-propyl-1H-pyrimidine-2,4-dione?
6-methyl-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 168.20 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3025420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).