2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

C13H20N2O2 — CID 46734501

IUPAC2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-2-3-8-10-14-12(16)11(13(17)15-10)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyCNFFIGXVUPGZCG-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.48
Rot. Bonds4

About 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one

2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 46734501) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID46734501
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1nc(O)c(C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C13H20N2O2/c1-2-3-8-10-14-12(16)11(13(17)15-10)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyCNFFIGXVUPGZCG-UHFFFAOYSA-N
XLogP2.48
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
5-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146660
5-cyclopentyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146661
5-cyclopentyl-4-hydroxy-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 112569351
5-cyclopentyl-4-hydroxy-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 112569394
2-(3,3-difluorocyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 114215369
4-amino-2-(3,3-difluorocyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 137010976
2-Cyclopentyl-6-hydroxy-5-methyl-4(3h)-pyrimidinone
CID 10285855
5-cyclohexyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
CID 44513469
2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612774
6-Hydroxy-5-{2-[(6-hydroxy-2-methyl-4-oxo(3-hydropyrimidin-5-yl))methyl]pentyl}-2-methyl-3-hydropyrimidin-4-one
CID 3417097
6-Hydroxy-5-{2-[(6-hydroxy-2-methyl-4-oxo(3-hydropyrimidin-5-yl))methyl]-3-met hylbutyl}-2-methyl-3-hydropyrimidin-4-one
CID 4070642

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one (CID 46734501) is 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is CCCCc1nc(O)c(C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CNFFIGXVUPGZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-8-10-14-12(16)11(13(17)15-10)9-6-4-5-7-9/h9H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one?
2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 236.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-cyclopentyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 46734501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).