2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine

C22H18N4 — CID 14949527

IUPAC2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C22H18N4/c1-15-23-19(17-9-5-3-6-10-17)13-21(25-15)22-14-20(24-16(2)26-22)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyYIGUJNPGFQOIAW-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.88
Rot. Bonds3

About 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine

2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine (PubChem CID 14949527) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine.

Molecular Properties

Compound Name2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
PubChem CID14949527
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine
SMILESCc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1
InChIInChI=1S/C22H18N4/c1-15-23-19(17-9-5-3-6-10-17)13-21(25-15)22-14-20(24-16(2)26-22)18-11-7-4-8-12-18/h3-14H,1-2H3
InChIKeyYIGUJNPGFQOIAW-UHFFFAOYSA-N
XLogP4.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diamino-5-phenyl-6-ethylpyrimidine, 2,4-
CID 93114
4,6-Diphenylpyrimidin-2-amine
CID 619024
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
6,7-Diphenylpteridine-2,4-diamine
CID 223355
4-Bromo-2,6-diphenylpyrimidine
CID 817533
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-Chloro-2,6-diphenylpyrimidine
CID 582041
5-Phenyl-6-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 9814965
2,4-Pyrimidinediamine, 6-hexyl-5-phenyl-
CID 9881905
4-(4-Methylpiperidin-1-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815440
6-Methyl-5-phenyl-2,4-pyrimidinediamine
CID 72565
4-Amino-2,6-diphenylpyrimidine
CID 619020

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The IUPAC name of 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine (CID 14949527) is 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine.
What is the SMILES notation for 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The canonical SMILES for 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine is Cc1nc(-c2ccccc2)cc(-c2cc(-c3ccccc3)nc(C)n2)n1.
What is the InChIKey of 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
The InChIKey is YIGUJNPGFQOIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4/c1-15-23-19(17-9-5-3-6-10-17)13-21(25-15)22-14-20(24-16(2)26-22)18-11-7-4-8-12-18/h3-14H,1-2H3.
What are the key properties of 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine?
2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine has a molecular weight of 338.41 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methyl-6-phenylpyrimidin-4-yl)-6-phenylpyrimidine is sourced from PubChem (CID 14949527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).