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

C13H20N2O3 — CID 113432633

IUPAC4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-3-6-9-10(16)14-12(15-11(9)17)13(18-2)7-4-5-8-13/h3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBVHCANQILPXGEG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.84
Rot. Bonds4

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

4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one (PubChem CID 113432633) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
PubChem CID113432633
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-3-6-9-10(16)14-12(15-11(9)17)13(18-2)7-4-5-8-13/h3-8H2,1-2H3,(H2,14,15,16,17)
InChIKeyBVHCANQILPXGEG-UHFFFAOYSA-N
XLogP1.84
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
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
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-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
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-5-iodo-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609921

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one (CID 113432633) is 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(C2(OC)CCCC2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one?
The InChIKey is BVHCANQILPXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-6-9-10(16)14-12(15-11(9)17)13(18-2)7-4-5-8-13/h3-8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclopentyl)-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 113432633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).