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

C14H22N2O3 — CID 116745128

IUPAC5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-10-11(17)15-13(16-12(10)18)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyHYEXPBOYADNSKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (PubChem CID 116745128) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
PubChem CID116745128
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-10-11(17)15-13(16-12(10)18)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyHYEXPBOYADNSKX-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
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-methoxycyclopentyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 104609916
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
CID 113432633
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
5-ethyl-4-hydroxy-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 113559540
5-ethyl-4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 113559541
2-(1-ethoxycyclopentyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113559542
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one (CID 116745128) is 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is CCc1c(O)nc(C2(OC)CCCCCC2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
The InChIKey is HYEXPBOYADNSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-10-11(17)15-13(16-12(10)18)14(19-2)8-6-4-5-7-9-14/h3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116745128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).