2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one

C8H12N2O3 — CID 165398156

IUPAC2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOCC(C)(O)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-8(12,5-13-2)7-9-4-3-6(11)10-7/h3-4,12H,5H2,1-2H3,(H,9,10,11)
InChIKeyKIVOENQHDPYQFV-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one

2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one (PubChem CID 165398156) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one
PubChem CID165398156
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one
SMILESCOCC(C)(O)c1nccc(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-8(12,5-13-2)7-9-4-3-6(11)10-7/h3-4,12H,5H2,1-2H3,(H,9,10,11)
InChIKeyKIVOENQHDPYQFV-UHFFFAOYSA-N
XLogP-0.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one (CID 165398156) is 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one is COCC(C)(O)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is KIVOENQHDPYQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-8(12,5-13-2)7-9-4-3-6(11)10-7/h3-4,12H,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one?
2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-1-methoxypropan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 165398156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).