2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

C15H15ClN2O3 — CID 136929316

IUPAC2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(O)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H15ClN2O3/c16-10-7-9(5-6-11(10)19)13-17-14(20)12(15(21)18-13)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,17,18,20,21)
InChIKeyJKRCXTLTVNORJJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.16
Rot. Bonds2

About 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 136929316) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID136929316
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccc(O)c(Cl)c2)nc(O)c1C1CCCC1
InChIInChI=1S/C15H15ClN2O3/c16-10-7-9(5-6-11(10)19)13-17-14(20)12(15(21)18-13)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,17,18,20,21)
InChIKeyJKRCXTLTVNORJJ-UHFFFAOYSA-N
XLogP3.16
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 136929316) is 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccc(O)c(Cl)c2)nc(O)c1C1CCCC1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JKRCXTLTVNORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-10-7-9(5-6-11(10)19)13-17-14(20)12(15(21)18-13)8-3-1-2-4-8/h5-8,19H,1-4H2,(H2,17,18,20,21).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 306.75 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136929316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).