4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

C8H12N2O2 — CID 10171269

IUPAC4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-9-7(11)5(3)8(12)10-6/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyMLYMLMWKTICTTJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.91
Rot. Bonds1

About 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one

4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 10171269) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID10171269
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCc1c(O)nc(C(C)C)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-4(2)6-9-7(11)5(3)8(12)10-6/h4H,1-3H3,(H2,9,10,11,12)
InChIKeyMLYMLMWKTICTTJ-UHFFFAOYSA-N
XLogP0.91
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one (CID 10171269) is 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is Cc1c(O)nc(C(C)C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MLYMLMWKTICTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4(2)6-9-7(11)5(3)8(12)10-6/h4H,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.91, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 10171269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).