5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine

C17H29FN2 — CID 130435856

IUPAC5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
SMILESCCCCCCC(C)(CCCCC)c1ncc(F)cn1
InChIInChI=1S/C17H29FN2/c1-4-6-8-10-12-17(3,11-9-7-5-2)16-19-13-15(18)14-20-16/h13-14H,4-12H2,1-3H3
InChIKeyBWHZMJXDLZIIFN-UHFFFAOYSA-N
MW280.43 g/mol
LogP5.42
Rot. Bonds10

About 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine

5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine (PubChem CID 130435856) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
PubChem CID130435856
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC Name5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine
SMILESCCCCCCC(C)(CCCCC)c1ncc(F)cn1
InChIInChI=1S/C17H29FN2/c1-4-6-8-10-12-17(3,11-9-7-5-2)16-19-13-15(18)14-20-16/h13-14H,4-12H2,1-3H3
InChIKeyBWHZMJXDLZIIFN-UHFFFAOYSA-N
XLogP5.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.43
LogP ≤ 55.42
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-ethyl-4-methyl-2-(5-methyldodecan-5-yl)pyrimidine
CID 139524806
5-fluoro-2-(2-methylpentan-2-yl)pyrimidine
CID 146430890
5-(4-methylheptan-4-yl)-2-(4-methyloctan-4-yl)pyrimidine
CID 123451996
5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
3-fluoro-2-(5-methylundecan-5-yl)pyridine
CID 155261820
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
2-fluoro-3-(5-methylundecan-5-yl)pyridine
CID 139342335
3-fluoro-5-(6-methyldodecan-6-yl)-1H-pyrazole
CID 146377789
5-methoxy-2-(2-methyloctan-2-yl)pyrimidine
CID 126596037
2-bromo-5-fluoro-3-(3-methyloctan-3-yl)pyrazine
CID 146377530
2-fluoro-4-(4-methyldecan-4-yl)pyridine
CID 166909360

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine (CID 130435856) is 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine is CCCCCCC(C)(CCCCC)c1ncc(F)cn1.
What is the InChIKey of 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine?
The InChIKey is BWHZMJXDLZIIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-4-6-8-10-12-17(3,11-9-7-5-2)16-19-13-15(18)14-20-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine?
5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine has a molecular weight of 280.43 g/mol, XLogP of 5.42, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-methyldodecan-6-yl)pyrimidine is sourced from PubChem (CID 130435856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).