4,6-dimethyl-2,2-diphenyl-1H-pyrimidine

C18H18N2 — CID 12644474

IUPAC4,6-dimethyl-2,2-diphenyl-1H-pyrimidine
SMILESCC1=CC(C)=NC(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C18H18N2/c1-14-13-15(2)20-18(19-14,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3
InChIKeyRDTPEGHSUOVAGK-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.86
Rot. Bonds2

About 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine

4,6-dimethyl-2,2-diphenyl-1H-pyrimidine (PubChem CID 12644474) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2,2-diphenyl-1H-pyrimidine
PubChem CID12644474
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4,6-dimethyl-2,2-diphenyl-1H-pyrimidine
SMILESCC1=CC(C)=NC(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C18H18N2/c1-14-13-15(2)20-18(19-14,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3
InChIKeyRDTPEGHSUOVAGK-UHFFFAOYSA-N
XLogP3.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Diphenylpyrimidin-2-ol
CID 619028
2(1H)-Pyrimidinethione, 4,6-diphenyl-
CID 3038178
2,4,5-triphenyl-2,5-dihydro-1H-imidazole
CID 296818
4-Phenyl-6-p-tolyl-pyrimidin-2-ol
CID 621547
(Z)-N-benzyl-7-(tert-butylimino)cyclohepta-1,3,5-trienamine
CID 767431
6-[4-[(pentylamino)methyl]phenyl]-4-phenyl-1H-pyrimidin-2-one
CID 167440247
N-[(1R)-1-phenylethyl]-7-[(1R)-1-phenylethyl]iminocyclohepta-1,3,5-trien-1-amine
CID 11759432
1-Benzylamino-7-benzylimino-1,3,5-cycloheptatriene
CID 1895489
2-Oxo-5-benzyl-4,6-diphenyl-1,2-dihydropyrimidine
CID 630782
6-Methyl-2,4-diphenyl-1,4-dihydropyrimidine
CID 5251039
2-Phenyl-4,6-dimethyl-1,2-dihydropyrimidine
CID 12644471
3,6-Dimethyl-2,5-diphenyl-1,6-dihydro-1,4-diazepine-7-thione
CID 3004569

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine?
The IUPAC name of 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine (CID 12644474) is 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine.
What is the SMILES notation for 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine?
The canonical SMILES for 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine is CC1=CC(C)=NC(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine?
The InChIKey is RDTPEGHSUOVAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-14-13-15(2)20-18(19-14,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-13,19H,1-2H3.
What are the key properties of 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine?
4,6-dimethyl-2,2-diphenyl-1H-pyrimidine has a molecular weight of 262.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2,2-diphenyl-1H-pyrimidine is sourced from PubChem (CID 12644474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).