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

C11H16N2O3 — CID 80691519

IUPAC4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2(C)CCCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(2)5-3-4-6-16-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHEZDFBUBUPURDO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.20
Rot. Bonds1

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

4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (PubChem CID 80691519) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
PubChem CID80691519
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C2(C)CCCCO2)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(2)5-3-4-6-16-11/h3-6H2,1-2H3,(H2,12,13,14,15)
InChIKeyHEZDFBUBUPURDO-UHFFFAOYSA-N
XLogP1.20
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one (CID 80691519) is 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is Cc1c(O)nc(C2(C)CCCCO2)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is HEZDFBUBUPURDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-8(14)12-10(13-9(7)15)11(2)5-3-4-6-16-11/h3-6H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 80691519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).