2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H11N3O3 — CID 63613128

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1noc(C)c1-c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H11N3O3/c1-4-9(14)11-8(12-10(4)15)7-5(2)13-16-6(7)3/h1-3H3,(H2,11,12,14,15)
InChIKeyLBQJOZNHFBWARA-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.06
Rot. Bonds1

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 63613128) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID63613128
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1noc(C)c1-c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H11N3O3/c1-4-9(14)11-8(12-10(4)15)7-5(2)13-16-6(7)3/h1-3H3,(H2,11,12,14,15)
InChIKeyLBQJOZNHFBWARA-UHFFFAOYSA-N
XLogP1.06
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 63613128) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1noc(C)c1-c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is LBQJOZNHFBWARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-4-9(14)11-8(12-10(4)15)7-5(2)13-16-6(7)3/h1-3H3,(H2,11,12,14,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 221.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 63613128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).