5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine

C20H36N2 — CID 139524806

IUPAC5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
SMILESCCCCCCCC(C)(CCCC)c1ncc(CC)c(C)n1
InChIInChI=1S/C20H36N2/c1-6-9-11-12-13-15-20(5,14-10-7-2)19-21-16-18(8-3)17(4)22-19/h16H,6-15H2,1-5H3
InChIKeyZEZHPRUHAFFAGA-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.16
Rot. Bonds11

About 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine

5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine (PubChem CID 139524806) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
PubChem CID139524806
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
SMILESCCCCCCCC(C)(CCCC)c1ncc(CC)c(C)n1
InChIInChI=1S/C20H36N2/c1-6-9-11-12-13-15-20(5,14-10-7-2)19-21-16-18(8-3)17(4)22-19/h16H,6-15H2,1-5H3
InChIKeyZEZHPRUHAFFAGA-UHFFFAOYSA-N
XLogP6.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
CID 130435856
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
5-(5-methylundecan-5-yl)-1H-imidazole
CID 166683864
2-(5-methyldodecan-5-yl)-4-(7-methyltridecan-7-yl)pyrido[3,2-d]pyrimidine
CID 154946377
5,5,6,6-tetramethyltridecane
CID 173349107
1-methyl-5-(7-methyltetradecan-7-yl)-1,2,4-triazole
CID 170409875
4-(5-methylundecan-5-yl)-1H-pyrazole
CID 139543634
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
4-methyl-3-(6-methyldodecan-6-yl)pyridine
CID 134177281
4-(5-methylundecan-5-yl)pyridine
CID 146178387

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine?
The IUPAC name of 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine (CID 139524806) is 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine.
What is the SMILES notation for 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine?
The canonical SMILES for 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine is CCCCCCCC(C)(CCCC)c1ncc(CC)c(C)n1.
What is the InChIKey of 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine?
The InChIKey is ZEZHPRUHAFFAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-6-9-11-12-13-15-20(5,14-10-7-2)19-21-16-18(8-3)17(4)22-19/h16H,6-15H2,1-5H3.
What are the key properties of 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine?
5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine has a molecular weight of 304.52 g/mol, XLogP of 6.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine is sourced from PubChem (CID 139524806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).