2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C11H16N2O2 — CID 64982345

IUPAC2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-6(2)8-10(14)12-9(13-11(8)15)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyAEUIAJADPOUGLE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.87
Rot. Bonds2

About 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 64982345) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID64982345
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O2/c1-6(2)8-10(14)12-9(13-11(8)15)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyAEUIAJADPOUGLE-UHFFFAOYSA-N
XLogP1.87
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Butyl-2-methyl-pyrimidine-4,6-diol
CID 4168469
4-hydroxy-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 63613631
4-hydroxy-5-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 79954585
2-cyclopropyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 10171285
6-Hydroxy-5-methyl-2-(2-methylcyclopropyl)pyrimidin-4(3H)-one
CID 10171286
2-cyclobutyl-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 10192604
2,5-ditert-butyl-4-hydroxy-1H-pyrimidin-6-one
CID 14642730
4-hydroxy-2-methyl-5-(2-methylprop-2-enyl)-1H-pyrimidin-6-one
CID 22943314
6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
CID 25421328
5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
CID 45058008
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

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 64982345) is 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CCC2)[nH]c1=O.
What is the InChIKey of 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is AEUIAJADPOUGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6(2)8-10(14)12-9(13-11(8)15)7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 64982345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).