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

C8H12N2O2 — CID 135848468

IUPAC6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(O)cc(=O)n1C(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-6(3)9-7(11)4-8(10)12/h4-5,11H,1-3H3
InChIKeyDCKBFWHLWBHVMC-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.84
Rot. Bonds1

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

6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one (PubChem CID 135848468) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one
PubChem CID135848468
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one
SMILESCc1nc(O)cc(=O)n1C(C)C
InChIInChI=1S/C8H12N2O2/c1-5(2)10-6(3)9-7(11)4-8(10)12/h4-5,11H,1-3H3
InChIKeyDCKBFWHLWBHVMC-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one?
The IUPAC name of 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one (CID 135848468) is 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one is Cc1nc(O)cc(=O)n1C(C)C.
What is the InChIKey of 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one?
The InChIKey is DCKBFWHLWBHVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(2)10-6(3)9-7(11)4-8(10)12/h4-5,11H,1-3H3.
What are the key properties of 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one?
6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-3-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 135848468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).