2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C14H22N2O3 — CID 116745152

IUPAC2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OCC)CCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-7-10-11(17)15-13(16-12(10)18)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJNDDUWAUJYTFKZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.23
Rot. Bonds5

About 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 116745152) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID116745152
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OCC)CCCC2)[nH]c1=O
InChIInChI=1S/C14H22N2O3/c1-3-7-10-11(17)15-13(16-12(10)18)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyJNDDUWAUJYTFKZ-UHFFFAOYSA-N
XLogP2.23
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
4-hydroxy-2-(oxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 65331631
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
4-hydroxy-5-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166194
5-ethyl-4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166195
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80166288
4-hydroxy-2-(2-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80166289
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691519
5-ethyl-4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691642
4-hydroxy-2-(2-methyloxan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 80691643
4-hydroxy-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 80691793
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 82838424

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 116745152) is 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2(OCC)CCCC2)[nH]c1=O.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is JNDDUWAUJYTFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-7-10-11(17)15-13(16-12(10)18)14(19-4-2)8-5-6-9-14/h3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116745152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).