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

C16H26N2O2 — CID 136963577

IUPAC2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-3-9-13-12-14(19)18-15(17-13)16(20-4-2)10-7-5-6-8-11-16/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOXEUYWXWJJOHIU-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.31
Rot. Bonds5

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

2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963577) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136963577
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OCC)CCCCCC2)n1
InChIInChI=1S/C16H26N2O2/c1-3-9-13-12-14(19)18-15(17-13)16(20-4-2)10-7-5-6-8-11-16/h12H,3-11H2,1-2H3,(H,17,18,19)
InChIKeyOXEUYWXWJJOHIU-UHFFFAOYSA-N
XLogP3.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxycycloheptyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136963832
2-(1-ethoxycycloheptyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475213
2-(1-ethoxycycloheptyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481437
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136729567
2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136773812
4-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773814
2-(1-methoxycyclopentyl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136773839

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one (CID 136963577) is 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C2(OCC)CCCCCC2)n1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is OXEUYWXWJJOHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-3-9-13-12-14(19)18-15(17-13)16(20-4-2)10-7-5-6-8-11-16/h12H,3-11H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one?
2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 278.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).