2-cycloheptyl-1H-pyrimidin-6-one

C11H16N2O — CID 65399530

IUPAC2-cycloheptyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-10-7-8-12-11(13-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,12,13,14)
InChIKeyVHPYAEXYJBBYPC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.21
Rot. Bonds1

About 2-cycloheptyl-1H-pyrimidin-6-one

2-cycloheptyl-1H-pyrimidin-6-one (PubChem CID 65399530) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cycloheptyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cycloheptyl-1H-pyrimidin-6-one
PubChem CID65399530
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cycloheptyl-1H-pyrimidin-6-one
SMILESO=c1ccnc(C2CCCCCC2)[nH]1
InChIInChI=1S/C11H16N2O/c14-10-7-8-12-11(13-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,12,13,14)
InChIKeyVHPYAEXYJBBYPC-UHFFFAOYSA-N
XLogP2.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cycloheptyl-1H-pyrimidin-6-one (CID 65399530) is 2-cycloheptyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cycloheptyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cycloheptyl-1H-pyrimidin-6-one is O=c1ccnc(C2CCCCCC2)[nH]1.
What is the InChIKey of 2-cycloheptyl-1H-pyrimidin-6-one?
The InChIKey is VHPYAEXYJBBYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-10-7-8-12-11(13-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H,12,13,14).
What are the key properties of 2-cycloheptyl-1H-pyrimidin-6-one?
2-cycloheptyl-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1H-pyrimidin-6-one is sourced from PubChem (CID 65399530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).