4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine

C22H24N2 — CID 12063031

IUPAC4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
SMILESCCCc1c(C)nc(-c2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H24N2/c1-5-6-20-17(4)23-22(19-13-9-16(3)10-14-19)24-21(20)18-11-7-15(2)8-12-18/h7-14H,5-6H2,1-4H3
InChIKeyVDPVABRKFYGTBK-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.69
Rot. Bonds4

About 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine

4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine (PubChem CID 12063031) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
PubChem CID12063031
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
SMILESCCCc1c(C)nc(-c2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C22H24N2/c1-5-6-20-17(4)23-22(19-13-9-16(3)10-14-19)24-21(20)18-11-7-15(2)8-12-18/h7-14H,5-6H2,1-4H3
InChIKeyVDPVABRKFYGTBK-UHFFFAOYSA-N
XLogP5.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
CID 12063039
1-methyl-3-(4-methylphenyl)-4-propylpyrazol-5-amine
CID 79404540
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
4-[5-(ethylaminomethyl)-4,6-dimethylpyrimidin-2-yl]phenol
CID 136889467
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651
4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine
CID 100928406
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
CID 102228159
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
N-[[4,6-dimethyl-2-(4-methylsulfanylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 106849847
3-(4,6-dimethyl-2-pyridin-4-ylpyrimidin-5-yl)-N-ethylpropan-1-amine
CID 62745258
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine?
The IUPAC name of 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine (CID 12063031) is 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine.
What is the SMILES notation for 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine?
The canonical SMILES for 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine is CCCc1c(C)nc(-c2ccc(C)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine?
The InChIKey is VDPVABRKFYGTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-5-6-20-17(4)23-22(19-13-9-16(3)10-14-19)24-21(20)18-11-7-15(2)8-12-18/h7-14H,5-6H2,1-4H3.
What are the key properties of 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine?
4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine has a molecular weight of 316.45 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine is sourced from PubChem (CID 12063031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).