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

C12H13N3O2S — CID 112569377

IUPAC5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cscn2)nc(O)c1C1CCCC1
InChIInChI=1S/C12H13N3O2S/c16-11-9(7-3-1-2-4-7)12(17)15-10(14-11)8-5-18-6-13-8/h5-7H,1-4H2,(H2,14,15,16,17)
InChIKeyFSIHGJJZDBLMME-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.26
Rot. Bonds2

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

5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 112569377) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
PubChem CID112569377
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cscn2)nc(O)c1C1CCCC1
InChIInChI=1S/C12H13N3O2S/c16-11-9(7-3-1-2-4-7)12(17)15-10(14-11)8-5-18-6-13-8/h5-7H,1-4H2,(H2,14,15,16,17)
InChIKeyFSIHGJJZDBLMME-UHFFFAOYSA-N
XLogP2.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-4-hydroxy-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 112569328
5-cyclopentyl-2-(3,4-dichlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926352
2-(4-bromo-2-methylphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 103083561
2-(2-bromo-5-chlorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926386
2-(3-chloro-4-hydroxyphenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 136929316
5-cyclopentyl-2-(1,3-dimethylpyrazol-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926378
5-cyclopentyl-2-(4-fluoro-2-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 115926343
2-(3-chloro-4-fluorophenyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926288
5-cyclopentyl-4-hydroxy-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 112569358
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360
5-cyclopentyl-4-hydroxy-2-(1-methylcyclopropyl)-1H-pyrimidin-6-one
CID 112569367
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
CID 115926289

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one (CID 112569377) is 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cscn2)nc(O)c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is FSIHGJJZDBLMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c16-11-9(7-3-1-2-4-7)12(17)15-10(14-11)8-5-18-6-13-8/h5-7H,1-4H2,(H2,14,15,16,17).
What are the key properties of 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one?
5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 263.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-4-hydroxy-2-(1,3-thiazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 112569377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).