5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one

C19H18N2O2 — CID 175672891

IUPAC5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(/C=C/c2ccccc2)=C(CO)C(c2ccccc2)N1
InChIInChI=1S/C19H18N2O2/c22-13-16-17(12-11-14-7-3-1-4-8-14)20-19(23)21-18(16)15-9-5-2-6-10-15/h1-12,18,22H,13H2,(H2,20,21,23)/b12-11+
InChIKeyASRQWQAYCNCPID-VAWYXSNFSA-N
MW306.37 g/mol
LogP3.00
Rot. Bonds4

About 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one

5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 175672891) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID175672891
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(/C=C/c2ccccc2)=C(CO)C(c2ccccc2)N1
InChIInChI=1S/C19H18N2O2/c22-13-16-17(12-11-14-7-3-1-4-8-14)20-19(23)21-18(16)15-9-5-2-6-10-15/h1-12,18,22H,13H2,(H2,20,21,23)/b12-11+
InChIKeyASRQWQAYCNCPID-VAWYXSNFSA-N
XLogP3.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 127044774
N'-Cyclohexyl-N-(1-hydroxy-3-phenylpropan-2-yl)carbamimidic acid
CID 209000
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127045081
Urea, 1-(alpha-(hydroxymethyl)phenethyl)-3-phenyl-
CID 208999
1-(1,2-Diphenyl-ethyl)-3-(3-hydroxy-propyl)-urea
CID 10979426
1-Benzyl-5-hydroxy-4-phenylimidazolidin-2-one
CID 13109356
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(2-fluorophenyl)methyl]urea
CID 47081484
1-Benzyl-3-[2-(3-fluorophenyl)-2-hydroxyethyl]urea
CID 51094198
1-[2-(3-Fluorophenyl)-2-hydroxyethyl]-3-[(3-fluorophenyl)methyl]urea
CID 53557729
1-[2-(2,5-Difluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 71925066
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
1-Benzhydryl-3-((1-(hydroxymethyl)cyclopropyl)methyl)urea
CID 49678077

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one (CID 175672891) is 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(/C=C/c2ccccc2)=C(CO)C(c2ccccc2)N1.
What is the InChIKey of 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ASRQWQAYCNCPID-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-13-16-17(12-11-14-7-3-1-4-8-14)20-19(23)21-18(16)15-9-5-2-6-10-15/h1-12,18,22H,13H2,(H2,20,21,23)/b12-11+.
What are the key properties of 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one?
5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 306.37 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-4-phenyl-6-[(E)-2-phenylethenyl]-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 175672891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).