6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one

C8H12N2O2 — CID 135848467

IUPAC6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(O)cc(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(12)10(8)3/h4-5,11H,1-3H3
InChIKeyASDVDCVCRRVHLW-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.61
Rot. Bonds1

About 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one

6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one (PubChem CID 135848467) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one
PubChem CID135848467
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1nc(O)cc(=O)n1C
InChIInChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(12)10(8)3/h4-5,11H,1-3H3
InChIKeyASDVDCVCRRVHLW-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one (CID 135848467) is 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one is CC(C)c1nc(O)cc(=O)n1C.
What is the InChIKey of 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
The InChIKey is ASDVDCVCRRVHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)8-9-6(11)4-7(12)10(8)3/h4-5,11H,1-3H3.
What are the key properties of 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one?
6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-2-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 135848467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).