2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine

C25H18N2 — CID 118148910

IUPAC2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESCc1nc(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H18N2/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)23-12-6-10-19-8-4-5-11-22(19)23/h2-16H,1H3
InChIKeyVBKBJNUSMZHVFH-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.43
Rot. Bonds2

About 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine

2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (PubChem CID 118148910) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
PubChem CID118148910
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
SMILESCc1nc(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)n1
InChIInChI=1S/C25H18N2/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)23-12-6-10-19-8-4-5-11-22(19)23/h2-16H,1H3
InChIKeyVBKBJNUSMZHVFH-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
2-methyl-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-methyl-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-methyl-4,6-diphenyl-1,3,5-triazine;2-(4-methylphenyl)-4,6-dinaphthalen-2-ylpyrimidine
CID 162051408
4-(3,5-diphenylphenyl)-2-methyl-6-(4-naphthalen-1-ylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenylphenyl)pyrimidine;2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 161366762
4-naphthalen-1-yl-2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-6-phenylpyrimidine
CID 130231665
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(5-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)pyrimidine
CID 177076865
2-(6-naphthalen-1-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076674
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-pyridin-2-ylpyrimidine
CID 130261239
4-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168780096
2-naphthalen-1-yl-4-naphthalen-2-ylpyridine
CID 144888160
3-[9-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241512
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 177076820

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The IUPAC name of 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine (CID 118148910) is 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine.
What is the SMILES notation for 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The canonical SMILES for 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is Cc1nc(-c2ccc3ccccc3c2)cc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
The InChIKey is VBKBJNUSMZHVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-17-26-24(21-14-13-18-7-2-3-9-20(18)15-21)16-25(27-17)23-12-6-10-19-8-4-5-11-22(19)23/h2-16H,1H3.
What are the key properties of 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine?
2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine has a molecular weight of 346.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine is sourced from PubChem (CID 118148910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).