4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C22H17N3 — CID 121360262

IUPAC4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3/c1-16-13-21(25-22(24-16)17-7-3-2-4-8-17)19-10-5-9-18(14-19)20-11-6-12-23-15-20/h2-15H,1H3
InChIKeyQZOVRFCYLMHXGD-UHFFFAOYSA-N
MW323.40 g/mol
LogP5.18
Rot. Bonds3

About 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 121360262) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID121360262
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESCc1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H17N3/c1-16-13-21(25-22(24-16)17-7-3-2-4-8-17)19-10-5-9-18(14-19)20-11-6-12-23-15-20/h2-15H,1H3
InChIKeyQZOVRFCYLMHXGD-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 121360265
2,4,6-tris[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 176586529
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703
2-(4-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477656
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
4-(3-naphthalen-1-ylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 121477404
2-[3-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 134194394
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-pyridin-3-ylphenyl)naphthalen-1-yl]pyrimidine
CID 165168510
2,4-diphenyl-6-[3-[4-(2-phenyl-6-pyridin-3-ylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-pyridin-3-yl-1,3,5-triazine
CID 163812765
2-phenyl-4,6-bis(3-phenyl-5-pyridin-3-ylphenyl)-1,3,5-triazine
CID 118344700
2-phenyl-4-(4-phenylphenyl)-6-[3-(5-pyridin-3-yl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 134380944
4-methyl-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 130261229

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 121360262) is 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is Cc1cc(-c2cccc(-c3cccnc3)c2)nc(-c2ccccc2)n1.
What is the InChIKey of 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is QZOVRFCYLMHXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3/c1-16-13-21(25-22(24-16)17-7-3-2-4-8-17)19-10-5-9-18(14-19)20-11-6-12-23-15-20/h2-15H,1H3.
What are the key properties of 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 121360262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).