2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one

C14H22N2O2 — CID 136963562

IUPAC2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(8-6-4-5-7-9-14)13-15-11(2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyLVGDVSACYKFQJH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.66
Rot. Bonds3

About 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one

2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136963562) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136963562
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
SMILESCCOC1(c2nc(C)cc(=O)[nH]2)CCCCCC1
InChIInChI=1S/C14H22N2O2/c1-3-18-14(8-6-4-5-7-9-14)13-15-11(2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyLVGDVSACYKFQJH-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963824
2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
2-(1-ethoxycycloheptyl)-6-methyl-1H-pyrimidine-4-thione
CID 113838988
2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744915
2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 116744924
4-hydroxy-2-(1-methoxycycloheptyl)-1H-pyrimidin-6-one
CID 116745095
2-(1-ethoxycycloheptyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116745103
4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287883
2-(1-methoxycyclopentyl)-4-methyl-1H-pyrimidin-6-one
CID 136773811
4-amino-2-(1-ethoxycycloheptyl)-1H-pyrimidin-6-one
CID 136960386
4-amino-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136960393
4-amino-2-(1-ethoxycycloheptyl)-5-methyl-1H-pyrimidin-6-one
CID 136960403

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one (CID 136963562) is 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one is CCOC1(c2nc(C)cc(=O)[nH]2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is LVGDVSACYKFQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-14(8-6-4-5-7-9-14)13-15-11(2)10-12(17)16-13/h10H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 250.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).