6-methyl-2,4-diphenyl-1,4-dihydropyrimidine

C17H16N2 — CID 5251039

IUPAC6-methyl-2,4-diphenyl-1,4-dihydropyrimidine
SMILESCC1=CC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C17H16N2/c1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-12,16H,1H3,(H,18,19)
InChIKeyOVCSIQFHOSJUDA-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.68
Rot. Bonds2

About 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine

6-methyl-2,4-diphenyl-1,4-dihydropyrimidine (PubChem CID 5251039) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name6-methyl-2,4-diphenyl-1,4-dihydropyrimidine
PubChem CID5251039
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name6-methyl-2,4-diphenyl-1,4-dihydropyrimidine
SMILESCC1=CC(c2ccccc2)N=C(c2ccccc2)N1
InChIInChI=1S/C17H16N2/c1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-12,16H,1H3,(H,18,19)
InChIKeyOVCSIQFHOSJUDA-UHFFFAOYSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine?
The IUPAC name of 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine (CID 5251039) is 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine.
What is the SMILES notation for 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine?
The canonical SMILES for 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine is CC1=CC(c2ccccc2)N=C(c2ccccc2)N1.
What is the InChIKey of 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine?
The InChIKey is OVCSIQFHOSJUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-13-12-16(14-8-4-2-5-9-14)19-17(18-13)15-10-6-3-7-11-15/h2-12,16H,1H3,(H,18,19).
What are the key properties of 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine?
6-methyl-2,4-diphenyl-1,4-dihydropyrimidine has a molecular weight of 248.33 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,4-diphenyl-1,4-dihydropyrimidine is sourced from PubChem (CID 5251039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).