6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one

C26H24N2O — CID 13298034

IUPAC6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one
SMILESCc1cc(C(Cc2ccccc2)Cc2ccccc2)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C26H24N2O/c1-20-17-25(28(26(29)27-20)24-15-9-4-10-16-24)23(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,23H,18-19H2,1H3
InChIKeyTWZBINHXTUARCA-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.11
Rot. Bonds6

About 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one

6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one (PubChem CID 13298034) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one.

Molecular Properties

Compound Name6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one
PubChem CID13298034
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one
SMILESCc1cc(C(Cc2ccccc2)Cc2ccccc2)n(-c2ccccc2)c(=O)n1
InChIInChI=1S/C26H24N2O/c1-20-17-25(28(26(29)27-20)24-15-9-4-10-16-24)23(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,23H,18-19H2,1H3
InChIKeyTWZBINHXTUARCA-UHFFFAOYSA-N
XLogP5.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one?
The IUPAC name of 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one (CID 13298034) is 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one.
What is the SMILES notation for 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one?
The canonical SMILES for 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one is Cc1cc(C(Cc2ccccc2)Cc2ccccc2)n(-c2ccccc2)c(=O)n1.
What is the InChIKey of 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one?
The InChIKey is TWZBINHXTUARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-20-17-25(28(26(29)27-20)24-15-9-4-10-16-24)23(18-21-11-5-2-6-12-21)19-22-13-7-3-8-14-22/h2-17,23H,18-19H2,1H3.
What are the key properties of 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one?
6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-diphenylpropan-2-yl)-4-methyl-1-phenylpyrimidin-2-one is sourced from PubChem (CID 13298034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).