2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 135618154

IUPAC2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)CO)n1
InChIInChI=1S/C8H12N2O2/c1-5(4-11)8-9-6(2)3-7(12)10-8/h3,5,11H,4H2,1-2H3,(H,9,10,12)
InChIKeyCOIUFQYETSLMHH-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.17
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135618154) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135618154
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C(C)CO)n1
InChIInChI=1S/C8H12N2O2/c1-5(4-11)8-9-6(2)3-7(12)10-8/h3,5,11H,4H2,1-2H3,(H,9,10,12)
InChIKeyCOIUFQYETSLMHH-UHFFFAOYSA-N
XLogP0.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 135618154) is 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C(C)CO)n1.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is COIUFQYETSLMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(4-11)8-9-6(2)3-7(12)10-8/h3,5,11H,4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135618154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).