6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione

C13H19ClN2O2 — CID 113479595

IUPAC6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CCC2CCC2)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-2-4-10-11(14)15-13(18)16(12(10)17)8-7-9-5-3-6-9/h9H,2-8H2,1H3,(H,15,18)
InChIKeyXYDKMDYSXHWRJP-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.33
Rot. Bonds5

About 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 113479595) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID113479595
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CCC2CCC2)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-2-4-10-11(14)15-13(18)16(12(10)17)8-7-9-5-3-6-9/h9H,2-8H2,1H3,(H,15,18)
InChIKeyXYDKMDYSXHWRJP-UHFFFAOYSA-N
XLogP2.33
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106003024
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730
6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 114109898
6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404478
6-chloro-5-ethyl-3-[(1-methylpiperidin-4-yl)methyl]-1H-pyrimidine-2,4-dione
CID 113404592
6-chloro-3-[(1,5-dimethylpyrazol-4-yl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106040810
6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
6-chloro-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107854464
6-chloro-5-fluoro-3-[(3-methylcyclohexyl)methyl]-1H-pyrimidine-2,4-dione
CID 114129738
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
6-chloro-5-cyclopentyl-3-(2-methoxyethyl)-1H-pyrimidine-2,4-dione
CID 113404373
5-amino-3-(2-cyclopropylethyl)-1H-quinazoline-2,4-dione
CID 90740804

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione (CID 113479595) is 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(CCC2CCC2)c1=O.
What is the InChIKey of 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is XYDKMDYSXHWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-4-10-11(14)15-13(18)16(12(10)17)8-7-9-5-3-6-9/h9H,2-8H2,1H3,(H,15,18).
What are the key properties of 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 270.76 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113479595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).