4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one

C13H20N2O3 — CID 116745112

IUPAC4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H20N2O3/c1-9-10(16)14-12(15-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOAHJXMPOZOQZSO-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds2

About 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 116745112) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID116745112
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCCCCC1
InChIInChI=1S/C13H20N2O3/c1-9-10(16)14-12(15-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOAHJXMPOZOQZSO-UHFFFAOYSA-N
XLogP1.98
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
5-ethyl-4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609915
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
2-(1-ethoxycyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 113559537
4-hydroxy-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559538
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745111
2-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116745113

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one (CID 116745112) is 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C)c(=O)[nH]2)CCCCCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OAHJXMPOZOQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-10(16)14-12(15-11(9)17)13(18-2)7-5-3-4-6-8-13/h3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).