5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione

C8H12N2O3 — CID 21240653

IUPAC5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyBRJLJKRCUICTCM-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.11
Rot. Bonds3

About 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione

5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 21240653) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID21240653
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-4H2,1H3,(H3,9,10,11,12,13)
InChIKeyBRJLJKRCUICTCM-UHFFFAOYSA-N
XLogP0.11
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-butyl-6-hydroxy-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

Related Compounds

5-Butyl-6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 14956545
6-Chloro-5-pentyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648510
5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 658361
5-Butyl-2-sulfanylpyrimidine-4,6-diol
CID 1799597
5-Ethyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12598279
6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 28630681
5-cyclohexyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 28221670
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
6-amino-5-propylpyrimidine-2,4(1H,3H)-dione
CID 816905
6-hydroxy-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 14269678
6-hydroxy-5-octadecyl-1H-pyrimidine-2,4-dione
CID 44668235
6-hydroxy-5-propyl-1H-pyrimidine-2,4-dione
CID 53727410

Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione (CID 21240653) is 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione is CCCCc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is BRJLJKRCUICTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-3-4-5-6(11)9-8(13)10-7(5)12/h2-4H2,1H3,(H3,9,10,11,12,13).
What are the key properties of 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione?
5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 21240653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).