5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one

C17H15N3O2 — CID 137230299

IUPAC5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CNc2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C17H15N3O2/c21-16-15(19-11-20-17(16)22)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,18,21H,10H2,(H,19,20,22)
InChIKeyZMMOZBIQPMXLBY-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.75
Rot. Bonds4

About 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one

5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one (PubChem CID 137230299) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one
PubChem CID137230299
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CNc2ccc(-c3ccccc3)cc2)c1O
InChIInChI=1S/C17H15N3O2/c21-16-15(19-11-20-17(16)22)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,18,21H,10H2,(H,19,20,22)
InChIKeyZMMOZBIQPMXLBY-UHFFFAOYSA-N
XLogP2.75
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-6-(hydroxymethyl)-2-[(4-phenylanilino)methyl]pyran-4-one
CID 123947516
4-(4-phenylphenyl)-N-(pyridin-2-ylmethyl)aniline
CID 101246794
4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzamide
CID 62747967
5-bromo-4-phenyl-1H-pyrimidin-6-one
CID 135502028
4-hexyl-5-hydroxy-1H-pyrimidin-6-one
CID 148952934
N-[(4-phenylphenyl)methyl]aniline
CID 10658964
2-[(4-phenylanilino)methyl]quinolin-8-ol
CID 153324751
N-[(6-methyl-3-pyridinyl)methyl]-4-phenylaniline
CID 104821896
5-[(4-phenylphenyl)methylamino]benzene-1,2,3-triol
CID 21321442
3-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]-1H-imidazol-2-one
CID 62741379
methyl 2-[4-[(5-methyl-1H-imidazol-4-yl)methylamino]phenoxy]acetate
CID 62748889
2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one (CID 137230299) is 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one is O=c1[nH]cnc(CNc2ccc(-c3ccccc3)cc2)c1O.
What is the InChIKey of 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one?
The InChIKey is ZMMOZBIQPMXLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16-15(19-11-20-17(16)22)10-18-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,11,18,21H,10H2,(H,19,20,22).
What are the key properties of 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one?
5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one has a molecular weight of 293.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[(4-phenylanilino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137230299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).