2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H20N2O2 — CID 136963683

IUPAC2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCC3)CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(8-3-4-9-14)13-15-11-7-5-6-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyMUJWDYAYXUYDMY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.06
Rot. Bonds3

About 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136963683) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136963683
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCC3)CCCC1
InChIInChI=1S/C14H20N2O2/c1-2-18-14(8-3-4-9-14)13-15-11-7-5-6-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyMUJWDYAYXUYDMY-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-Ethoxyethenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136470658
Ethane;2-(1-ethoxyethenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 143679727
4-(1-Ethoxyethenyl)-3,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3-dien-6-one
CID 145472306
2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116745152
2-(Propoxymethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135973727
2-(Ethoxymethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136233878
2-(Oxolan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136274228
2-(1-Ethoxyethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136276390
2-(1-Methoxyethyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136283811
2-(2-Methoxypropan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136286942
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136287897

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136963683) is 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CCC3)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is MUJWDYAYXUYDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-18-14(8-3-4-9-14)13-15-11-7-5-6-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 248.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136963683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).