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

C12H18N2O2 — CID 63612951

IUPAC2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-2-5-9-11(15)13-10(14-12(9)16)8-6-3-4-7-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyBDMBOJVUDFZOAP-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.09
Rot. Bonds3

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

2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 63612951) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID63612951
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2CCCC2)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-2-5-9-11(15)13-10(14-12(9)16)8-6-3-4-7-8/h8H,2-7H2,1H3,(H2,13,14,15,16)
InChIKeyBDMBOJVUDFZOAP-UHFFFAOYSA-N
XLogP2.09
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.09
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-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
2-cyclohexyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63612774
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
5-Cyclopropyl-6-hydroxy-2-methyl-4(3H)-pyrimidinone
CID 66641237
4-hydroxy-2,5-bis(2-methylbutan-2-yl)-1H-pyrimidin-6-one
CID 143732743
6-Hydroxy-5-{2-[(6-hydroxy-2-methyl-4-oxo(3-hydropyrimidin-5-yl))methyl]pentyl}-2-methyl-3-hydropyrimidin-4-one
CID 3417097
5-[(4,6-Dihydroxy-2-methylpyrimidin-5-yl)ethyl]-2-methylpyrimidine-4,6-diol
CID 3477793

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 63612951) is 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2CCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is BDMBOJVUDFZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-5-9-11(15)13-10(14-12(9)16)8-6-3-4-7-8/h8H,2-7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63612951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).