1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone

C13H16N2O2 — CID 10353881

IUPAC1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone
SMILESCN1CCCN=C1CC(=O)c1cccc(O)c1
InChIInChI=1S/C13H16N2O2/c1-15-7-3-6-14-13(15)9-12(17)10-4-2-5-11(16)8-10/h2,4-5,8,16H,3,6-7,9H2,1H3
InChIKeyJVQQCWWKBSLPDX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.70
Rot. Bonds3

About 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone

1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone (PubChem CID 10353881) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone
PubChem CID10353881
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone
SMILESCN1CCCN=C1CC(=O)c1cccc(O)c1
InChIInChI=1S/C13H16N2O2/c1-15-7-3-6-14-13(15)9-12(17)10-4-2-5-11(16)8-10/h2,4-5,8,16H,3,6-7,9H2,1H3
InChIKeyJVQQCWWKBSLPDX-UHFFFAOYSA-N
XLogP1.70
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone
CID 10466479
1,2-bis(3-hydroxyphenyl)ethane-1,2-dione
CID 13158606
3-[(E)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethenyl]phenol
CID 156610539
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599
1-(3-hydroxyphenyl)-3,3-dimethylbutan-1-one
CID 68669606
3-(3-hydroxyphenyl)-3-oxopropanal
CID 115012898
[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
CID 90358317
CID 174830791
CID 174830791
CID 66671873
CID 66671873
3-hydroxybenzoic acid;hydrochloride
CID 118389750
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone (CID 10353881) is 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone is CN1CCCN=C1CC(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone?
The InChIKey is JVQQCWWKBSLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-7-3-6-14-13(15)9-12(17)10-4-2-5-11(16)8-10/h2,4-5,8,16H,3,6-7,9H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone?
1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone has a molecular weight of 232.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)ethanone is sourced from PubChem (CID 10353881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).