2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

C12H18N2O2 — CID 116744915

IUPAC2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C12H18N2O2/c1-16-12(7-4-2-3-5-8-12)11-13-9-6-10(15)14-11/h6,9H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyIQOZPOUUQSTRNZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.97
Rot. Bonds2

About 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one

2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (PubChem CID 116744915) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
PubChem CID116744915
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C12H18N2O2/c1-16-12(7-4-2-3-5-8-12)11-13-9-6-10(15)14-11/h6,9H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyIQOZPOUUQSTRNZ-UHFFFAOYSA-N
XLogP1.97
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-[cyclohexyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 113559510
2-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 113559511
5-bromo-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559573
5-bromo-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 113559574
5-(bromomethyl)-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 114205549
2-(1-ethoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744914
2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916
2-(1-ethoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116744917
2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 116744920
2-(1-ethoxycyclopentyl)-1H-pyrimidin-6-one
CID 116744921
2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744924

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (CID 116744915) is 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is COC1(c2nccc(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The InChIKey is IQOZPOUUQSTRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-16-12(7-4-2-3-5-8-12)11-13-9-6-10(15)14-11/h6,9H,2-5,7-8H2,1H3,(H,13,14,15).
What are the key properties of 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).