2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine

C22H18N2 — CID 156551184

IUPAC2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine
SMILESCc1cc(-c2ncccn2)cc(-c2ccc(C)c3ccccc23)c1
InChIInChI=1S/C22H18N2/c1-15-12-17(14-18(13-15)22-23-10-5-11-24-22)20-9-8-16(2)19-6-3-4-7-21(19)20/h3-14H,1-2H3
InChIKeyMODUWQNNUYGPGA-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.58
Rot. Bonds2

About 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine

2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine (PubChem CID 156551184) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine
PubChem CID156551184
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine
SMILESCc1cc(-c2ncccn2)cc(-c2ccc(C)c3ccccc23)c1
InChIInChI=1S/C22H18N2/c1-15-12-17(14-18(13-15)22-23-10-5-11-24-22)20-9-8-16(2)19-6-3-4-7-21(19)20/h3-14H,1-2H3
InChIKeyMODUWQNNUYGPGA-UHFFFAOYSA-N
XLogP5.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-methyl-5-quinolin-5-ylphenyl)quinoline
CID 144553990
1-methyl-4-[4-(4-methylphenyl)naphthalen-1-yl]naphthalene
CID 123804574
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455
2-[3,4-bis[3-(3,5-dimethylphenyl)phenyl]phenyl]pyrimidine
CID 59552735
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
3-methyl-5-(4-methylnaphthalen-1-yl)pyridin-2-amine
CID 83170641
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58382636
1-methyl-4-[4-[4-(6-methylnaphthalen-2-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalene
CID 59169275
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
2-methyl-6-(4-methylnaphthalen-1-yl)anthracene
CID 123178820
2-methyl-6-[3-methyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]benzo[f]quinoline
CID 171766184
2-[3-(7,7-diethyl-5-methylbenzo[g]fluoren-9-yl)-5-methylphenyl]pyridine
CID 144613339

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine?
The IUPAC name of 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine (CID 156551184) is 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine.
What is the SMILES notation for 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine?
The canonical SMILES for 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine is Cc1cc(-c2ncccn2)cc(-c2ccc(C)c3ccccc23)c1.
What is the InChIKey of 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine?
The InChIKey is MODUWQNNUYGPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-15-12-17(14-18(13-15)22-23-10-5-11-24-22)20-9-8-16(2)19-6-3-4-7-21(19)20/h3-14H,1-2H3.
What are the key properties of 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine?
2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine has a molecular weight of 310.40 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(4-methylnaphthalen-1-yl)phenyl]pyrimidine is sourced from PubChem (CID 156551184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).