6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione

C13H19ClN2O2 — CID 114109898

IUPAC6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CC2CC2(C)C)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-4-5-9-10(14)15-12(18)16(11(9)17)7-8-6-13(8,2)3/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyZLJISFJGXTUEAB-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.19
Rot. Bonds4

About 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione

6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione (PubChem CID 114109898) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
PubChem CID114109898
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione
SMILESCCCc1c(Cl)[nH]c(=O)n(CC2CC2(C)C)c1=O
InChIInChI=1S/C13H19ClN2O2/c1-4-5-9-10(14)15-12(18)16(11(9)17)7-8-6-13(8,2)3/h8H,4-7H2,1-3H3,(H,15,18)
InChIKeyZLJISFJGXTUEAB-UHFFFAOYSA-N
XLogP2.19
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-(2-cyclobutylethyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 113479595
6-chloro-3-hexyl-5-propyl-1H-pyrimidine-2,4-dione
CID 113404730
6-chloro-3-[2-(oxan-2-yl)ethyl]-5-propyl-1H-pyrimidine-2,4-dione
CID 106003024
6-chloro-3-(cyclohexylmethyl)-5-ethyl-1H-pyrimidine-2,4-dione
CID 113404478
6-chloro-5-propyl-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 113404475
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-3-(2,3-dihydro-1H-inden-2-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107854464
3-(4-bromo-2,3-dichlorophenyl)-6-chloro-5-propyl-1H-pyrimidine-2,4-dione
CID 107795706
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-5-propyl-1H-pyrimidine-2,4-dione
CID 107581193
6-hydroxy-1-[(1-methylcyclopropyl)methyl]-5-propylpyrimidine-2,4-dione
CID 114102672
6-chloro-5-fluoro-3-[(3-methylcyclohexyl)methyl]-1H-pyrimidine-2,4-dione
CID 114129738

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione (CID 114109898) is 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione is CCCc1c(Cl)[nH]c(=O)n(CC2CC2(C)C)c1=O.
What is the InChIKey of 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
The InChIKey is ZLJISFJGXTUEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-5-9-10(14)15-12(18)16(11(9)17)7-8-6-13(8,2)3/h8H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione?
6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione has a molecular weight of 270.76 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2,2-dimethylcyclopropyl)methyl]-5-propyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114109898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).