5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

C15H14Cl2N2O2 — CID 115926352

IUPAC5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-6-5-9(7-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyKUWTUGKNIKXULW-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.11
Rot. Bonds2

About 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one

5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 115926352) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID115926352
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H14Cl2N2O2/c16-10-6-5-9(7-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21)
InChIKeyKUWTUGKNIKXULW-UHFFFAOYSA-N
XLogP4.11
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 136929316
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926288
5-bromo-4-cyclopentyl-2-(3,4-dichlorophenyl)-1H-pyrimidin-6-one
CID 136729711
2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926386
5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 103083561
5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926343
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
CID 112569377
2-(3-bromo-4-chlorophenyl)-4-cyclopentyl-5-iodo-1H-pyrimidin-6-one
CID 136729773
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926378
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 115926352) is 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(Cl)c(Cl)c2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is KUWTUGKNIKXULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-10-6-5-9(7-11(10)17)13-18-14(20)12(15(21)19-13)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21).
What are the key properties of 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 325.19 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 115926352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).