4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

C16H14N2O — CID 599766

IUPAC4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccccc2)N1
InChIInChI=1S/C16H14N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19)
InChIKeyDFTAAYUSFSEGNP-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.08
Rot. Bonds2

About 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one

4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 599766) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID599766
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=CC(c2ccccc2)N1
InChIInChI=1S/C16H14N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19)
InChIKeyDFTAAYUSFSEGNP-UHFFFAOYSA-N
XLogP3.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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Benzylurea
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N,N'-Bis(2-phenylethyl)urea
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1-Benzyl-3-cyclohexylurea
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4-benzhydryl-N-butylpiperazine-1-carboxamide
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CID 11675645
1-Cyclohexyl-3-(2-phenylethyl)urea
CID 742677
N-(Diphenylmethyl)urea
CID 95253
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
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CID 231587

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 599766) is 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=CC(c2ccccc2)N1.
What is the InChIKey of 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is DFTAAYUSFSEGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16-17-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,14H,(H2,17,18,19).
What are the key properties of 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one?
4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 599766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).