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

C10H14N2O3 — CID 116705677

IUPAC4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H14N2O3/c1-6-7(13)11-9(12-8(6)14)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyUNZXOILUGBQYDW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.81
Rot. Bonds2

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

4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705677) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID116705677
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC1(c2nc(O)c(C)c(=O)[nH]2)CCC1
InChIInChI=1S/C10H14N2O3/c1-6-7(13)11-9(12-8(6)14)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,11,12,13,14)
InChIKeyUNZXOILUGBQYDW-UHFFFAOYSA-N
XLogP0.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-hydroxy-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 79201545
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79201546
4-hydroxy-2-(2-methoxypropan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79201653
4-hydroxy-2-(2-methoxypropan-2-yl)-5-methyl-1H-pyrimidin-6-one
CID 79203140
4-hydroxy-5-methyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166194
4-hydroxy-2-(1-methoxycyclopentyl)-5-methyl-1H-pyrimidin-6-one
CID 104609914
4-hydroxy-2-(1-methoxycyclobutyl)-5-propyl-1H-pyrimidin-6-one
CID 113554614
4-hydroxy-2-(1-methoxycyclohexyl)-5-methyl-1H-pyrimidin-6-one
CID 113559535
5-ethyl-4-hydroxy-2-(3-methoxypentan-3-yl)-1H-pyrimidin-6-one
CID 113559541
4-hydroxy-2-(3-methoxypentan-3-yl)-5-propyl-1H-pyrimidin-6-one
CID 113559543
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(2-ethoxypropan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 116705678

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one (CID 116705677) is 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one is COC1(c2nc(O)c(C)c(=O)[nH]2)CCC1.
What is the InChIKey of 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is UNZXOILUGBQYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-7(13)11-9(12-8(6)14)10(15-2)4-3-5-10/h3-5H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxycyclobutyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).