4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine

C28H39N5 — CID 170732041

IUPAC4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine
SMILESCC.CC.CC.Cc1cc(C)nc(-c2ccncc2)n1.Cc1ncncc1-c1ccccc1
InChIInChI=1S/C11H11N3.C11H10N2.3C2H6/c1-8-7-9(2)14-11(13-8)10-3-5-12-6-4-10;1-9-11(7-12-8-13-9)10-5-3-2-4-6-10;3*1-2/h3-7H,1-2H3;2-8H,1H3;3*1-2H3
InChIKeyXFQOKKPBDUWXBT-UHFFFAOYSA-N
MW445.66 g/mol
LogP7.69
Rot. Bonds2

About 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine

4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine (PubChem CID 170732041) has the molecular formula C28H39N5 and a molecular weight of 445.66 g/mol. Its IUPAC name is 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine.

Molecular Properties

Compound Name4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine
PubChem CID170732041
Molecular FormulaC28H39N5
Molecular Weight445.66 g/mol
Exact Mass445.32
IUPAC Name4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine
SMILESCC.CC.CC.Cc1cc(C)nc(-c2ccncc2)n1.Cc1ncncc1-c1ccccc1
InChIInChI=1S/C11H11N3.C11H10N2.3C2H6/c1-8-7-9(2)14-11(13-8)10-3-5-12-6-4-10;1-9-11(7-12-8-13-9)10-5-3-2-4-6-10;3*1-2/h3-7H,1-2H3;2-8H,1H3;3*1-2H3
InChIKeyXFQOKKPBDUWXBT-UHFFFAOYSA-N
XLogP7.69
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.66
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229
4,6-dimethyl-2-phenylpyrimidine;methane
CID 159318650
4-methyl-5-(3-methylphenyl)pyrimidine
CID 178100912
4-(4-methylpyrimidin-5-yl)benzoic acid
CID 105467481
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4-(4-methylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 138662738
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
2,4-bis(3,5-diphenylphenyl)-6-pyridin-4-yl-1,3,5-triazine
CID 153435475
2-[3-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 122416438
2,4-bis(4-phenylphenyl)-6-[3-(2-phenylphenyl)-5-pyridin-4-ylphenyl]-1,3,5-triazine
CID 155595102
4-methyl-2,5-diphenylpyrimidine;4-methyl-2,6-diphenylpyrimidine;4-methyl-5,6-diphenylpyrimidine;2-methyl-4-phenylpyrimidine;2-methyl-5-phenylpyrimidine;4-methyl-5-phenylpyrimidine;4-methyl-6-phenylpyrimidine;5-methyl-4-phenylpyrimidine;2-methyl-4,5,6-triphenylpyrimidine;4-methyl-2,5,6-triphenylpyrimidine
CID 158480562
2-phenyl-4-(4-pyridin-4-ylphenyl)-6-[4-(4-pyridin-4-ylphenyl)phenyl]pyrimidine
CID 121289840

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine?
The IUPAC name of 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine (CID 170732041) is 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine.
What is the SMILES notation for 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine?
The canonical SMILES for 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine is CC.CC.CC.Cc1cc(C)nc(-c2ccncc2)n1.Cc1ncncc1-c1ccccc1.
What is the InChIKey of 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine?
The InChIKey is XFQOKKPBDUWXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3.C11H10N2.3C2H6/c1-8-7-9(2)14-11(13-8)10-3-5-12-6-4-10;1-9-11(7-12-8-13-9)10-5-3-2-4-6-10;3*1-2/h3-7H,1-2H3;2-8H,1H3;3*1-2H3.
What are the key properties of 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine?
4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine has a molecular weight of 445.66 g/mol, XLogP of 7.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine is sourced from PubChem (CID 170732041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).