ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one

C19H20N2O2 — CID 136595487

IUPACethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
SMILESCC.Cc1cc(-c2cc(-c3ccccc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C17H14N2O2.C2H6/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12;1-2/h2-10,20H,1H3,(H,18,19,21);1-2H3
InChIKeyYOTBOZTYRCRHFA-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.14
Rot. Bonds2

About ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one

ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one (PubChem CID 136595487) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Nameethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
PubChem CID136595487
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Nameethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
SMILESCC.Cc1cc(-c2cc(-c3ccccc3)[nH]c(=O)n2)ccc1O
InChIInChI=1S/C17H14N2O2.C2H6/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12;1-2/h2-10,20H,1H3,(H,18,19,21);1-2H3
InChIKeyYOTBOZTYRCRHFA-UHFFFAOYSA-N
XLogP4.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2,3-dichlorophenyl)-4-(4-hydroxy-3-methylphenyl)-1H-pyrimidin-2-one
CID 135589888
N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]-N-methylbenzamide
CID 135589886
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135900117
4-(4-hydroxy-3-methylphenyl)-6-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-1H-pyrimidin-2-one
CID 135900164
4-[4-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-6-yl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 135900183
4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
CID 16661436
N-(furan-2-ylmethyl)-2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]propanamide
CID 136651690
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
2-[3-[6-(4-hydroxy-3-methylphenyl)-2-oxo-1H-pyrimidin-4-yl]phenoxy]-N-methyl-N-(1-methyl-2H-pyrimidin-4-yl)acetamide
CID 142702028
4-(3,4-dimethylphenyl)-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 139229492
4-(4-hydroxy-3-methoxyphenyl)-6-[4-(1,3-thiazol-4-yl)phenyl]-1H-pyrimidin-2-one
CID 146654025

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one?
The IUPAC name of ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one (CID 136595487) is ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one is CC.Cc1cc(-c2cc(-c3ccccc3)[nH]c(=O)n2)ccc1O.
What is the InChIKey of ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one?
The InChIKey is YOTBOZTYRCRHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.C2H6/c1-11-9-13(7-8-16(11)20)15-10-14(18-17(21)19-15)12-5-3-2-4-6-12;1-2/h2-10,20H,1H3,(H,18,19,21);1-2H3.
What are the key properties of ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one?
ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one has a molecular weight of 308.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 136595487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).