2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one

C11H18N2O3 — CID 116745102

IUPAC2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-11(5-2,16-6-3)10-12-8(14)7-9(15)13-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyGERHGYRSTVOIAN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.53
Rot. Bonds5

About 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116745102) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116745102
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(CC)(CC)c1nc(O)cc(=O)[nH]1
InChIInChI=1S/C11H18N2O3/c1-4-11(5-2,16-6-3)10-12-8(14)7-9(15)13-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyGERHGYRSTVOIAN-UHFFFAOYSA-N
XLogP1.53
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79203139
4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166106
4-hydroxy-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80691518
4-hydroxy-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609913
2-(1-ethoxy-4-methylcyclohexyl)-4-hydroxy-1H-pyrimidin-6-one
CID 113559532
5-ethyl-4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 113559541
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705664
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705666
2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705667
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705668

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 116745102) is 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one is CCOC(CC)(CC)c1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is GERHGYRSTVOIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-11(5-2,16-6-3)10-12-8(14)7-9(15)13-10/h7H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 226.28 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116745102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).