4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine

C21H28N2 — CID 122534337

IUPAC4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine
SMILESCc1ccc(CC2CCC(Cc3ncc(C)c(C)n3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-15-4-6-18(7-5-15)12-19-8-10-20(11-9-19)13-21-22-14-16(2)17(3)23-21/h4-7,14,19-20H,8-13H2,1-3H3
InChIKeySOKHYERHYAKRNZ-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.99
Rot. Bonds4

About 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine

4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine (PubChem CID 122534337) has the molecular formula C21H28N2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine
PubChem CID122534337
Molecular FormulaC21H28N2
Molecular Weight308.47 g/mol
Exact Mass308.23
IUPAC Name4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine
SMILESCc1ccc(CC2CCC(Cc3ncc(C)c(C)n3)CC2)cc1
InChIInChI=1S/C21H28N2/c1-15-4-6-18(7-5-15)12-19-8-10-20(11-9-19)13-21-22-14-16(2)17(3)23-21/h4-7,14,19-20H,8-13H2,1-3H3
InChIKeySOKHYERHYAKRNZ-UHFFFAOYSA-N
XLogP4.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine?
The IUPAC name of 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine (CID 122534337) is 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine?
The canonical SMILES for 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine is Cc1ccc(CC2CCC(Cc3ncc(C)c(C)n3)CC2)cc1.
What is the InChIKey of 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine?
The InChIKey is SOKHYERHYAKRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2/c1-15-4-6-18(7-5-15)12-19-8-10-20(11-9-19)13-21-22-14-16(2)17(3)23-21/h4-7,14,19-20H,8-13H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine?
4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine has a molecular weight of 308.47 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[4-[(4-methylphenyl)methyl]cyclohexyl]methyl]pyrimidine is sourced from PubChem (CID 122534337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).