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

C14H22N2O2 — CID 65399925

IUPAC2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-9(2)11-13(17)15-12(16-14(11)18)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWXHJFNLJYNTTQP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.04
Rot. Bonds2

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

2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 65399925) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID65399925
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(C2CCCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O2/c1-9(2)11-13(17)15-12(16-14(11)18)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18)
InChIKeyWXHJFNLJYNTTQP-UHFFFAOYSA-N
XLogP3.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 65399925) is 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(C2CCCCCC2)[nH]c1=O.
What is the InChIKey of 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is WXHJFNLJYNTTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)11-13(17)15-12(16-14(11)18)10-7-5-3-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 65399925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).