4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

C94H72N12 — CID 157360917

IUPAC4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccccc2)nc(-c2ccc(-c3cccnc3)cc2)n1.Cc1cc(-c2ccccc2)nc(-c2cnc(-c3ccccc3)nc2)n1.Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.Cc1nc(-c2ccccc2)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C29H22N2.2C22H17N3.C21H16N4/c1-21-12-14-24(15-13-21)27-20-28(31-29(30-27)26-10-6-3-7-11-26)25-18-16-23(17-19-25)22-8-4-2-5-9-22;1-16-24-21(18-6-3-2-4-7-18)14-22(25-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-16-14-21(18-6-3-2-4-7-18)25-22(24-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-15-12-19(16-8-4-2-5-9-16)25-21(24-15)18-13-22-20(23-14-18)17-10-6-3-7-11-17/h2-20H,1H3;2*2-15H,1H3;2-14H,1H3
InChIKeyBIQAGSBNZNKXRT-UHFFFAOYSA-N
MW1369.69 g/mol
LogP22.39
Rot. Bonds13

About 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine

4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157360917) has the molecular formula C94H72N12 and a molecular weight of 1369.69 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID157360917
Molecular FormulaC94H72N12
Molecular Weight1369.69 g/mol
Exact Mass1368.60
IUPAC Name4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESCc1cc(-c2ccccc2)nc(-c2ccc(-c3cccnc3)cc2)n1.Cc1cc(-c2ccccc2)nc(-c2cnc(-c3ccccc3)nc2)n1.Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.Cc1nc(-c2ccccc2)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C29H22N2.2C22H17N3.C21H16N4/c1-21-12-14-24(15-13-21)27-20-28(31-29(30-27)26-10-6-3-7-11-26)25-18-16-23(17-19-25)22-8-4-2-5-9-22;1-16-24-21(18-6-3-2-4-7-18)14-22(25-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-16-14-21(18-6-3-2-4-7-18)25-22(24-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-15-12-19(16-8-4-2-5-9-16)25-21(24-15)18-13-22-20(23-14-18)17-10-6-3-7-11-17/h2-20H,1H3;2*2-15H,1H3;2-14H,1H3
InChIKeyBIQAGSBNZNKXRT-UHFFFAOYSA-N
XLogP22.39
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001369.69
LogP ≤ 522.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-4-yl)pyrimidin-4-amine
CID 4193543
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780
4,6-Dimethyl-N'-(3-Pyridin-2-Ylisoquinolin-1-Yl)pyrimidine-2-Carboximidamide
CID 44363627
6-(4-Dimethylamino-phenyl)-7-pyridin-4-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10154451
6-(4-methylphenyl)-7-[4-[(E)-2-pyridin-2-ylethenyl]phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 10273318
7-(4-Pyrimidin-5-yl-phenyl)-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10293769
N,N-dimethyl-2-(4-{7-[4-({4-[5-(1-oxidopyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}methyl)phenyl]-6-phenylpyrido[2,3-d]pyrimidin-2-yl}piperazin-1-yl)ethanamine
CID 11672049
5-[6-(4-Carbamimidoylphenyl)-3-pyridinyl]pyrimidine-2-carboximidamide
CID 24752329
5-methyl-N-[[4-(6-methyl-3-pyridinyl)phenyl]methyl]-2-(2-propan-2-ylphenyl)pyrimidin-4-amine
CID 60167891

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 157360917) is 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is Cc1cc(-c2ccccc2)nc(-c2ccc(-c3cccnc3)cc2)n1.Cc1cc(-c2ccccc2)nc(-c2cnc(-c3ccccc3)nc2)n1.Cc1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)cc1.Cc1nc(-c2ccccc2)cc(-c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is BIQAGSBNZNKXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2.2C22H17N3.C21H16N4/c1-21-12-14-24(15-13-21)27-20-28(31-29(30-27)26-10-6-3-7-11-26)25-18-16-23(17-19-25)22-8-4-2-5-9-22;1-16-24-21(18-6-3-2-4-7-18)14-22(25-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-16-14-21(18-6-3-2-4-7-18)25-22(24-16)19-11-9-17(10-12-19)20-8-5-13-23-15-20;1-15-12-19(16-8-4-2-5-9-16)25-21(24-15)18-13-22-20(23-14-18)17-10-6-3-7-11-17/h2-20H,1H3;2*2-15H,1H3;2-14H,1H3.
What are the key properties of 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1369.69 g/mol, XLogP of 22.39, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-methyl-6-phenyl-2-(2-phenylpyrimidin-5-yl)pyrimidine;2-methyl-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine;4-methyl-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157360917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).