4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one

C10H16N2O3 — CID 116705680

IUPAC4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-5-7(15-3)8-11-9(13)6(2)10(14)12-8/h7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNZKFXQCHELRKNJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.27
Rot. Bonds4

About 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705680) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID116705680
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCCC(OC)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O3/c1-4-5-7(15-3)8-11-9(13)6(2)10(14)12-8/h7H,4-5H2,1-3H3,(H2,11,12,13,14)
InChIKeyNZKFXQCHELRKNJ-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-(methoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 63612104
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
5-ethyl-4-hydroxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 63612450
5-ethyl-4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612619
4-hydroxy-2-(methoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613286
4-hydroxy-2-(propoxymethyl)-5-propyl-1H-pyrimidin-6-one
CID 63613288
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-2-(3-methoxypropyl)-5-methyl-1H-pyrimidin-6-one
CID 65094966
4-hydroxy-5-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331575

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one (CID 116705680) is 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one is CCCC(OC)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NZKFXQCHELRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-7(15-3)8-11-9(13)6(2)10(14)12-8/h7H,4-5H2,1-3H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxybutyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 212.25 g/mol, XLogP of 1.27, 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-methoxybutyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).