5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine

C14H23FN2 — CID 146377504

IUPAC5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1ncnc(C)c1F
InChIInChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3
InChIKeyQADPIUAOVZRREO-UHFFFAOYSA-N
MW238.35 g/mol
LogP4.17
Rot. Bonds6

About 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine

5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine (PubChem CID 146377504) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
PubChem CID146377504
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine
SMILESCCCCCC(C)(CC)c1ncnc(C)c1F
InChIInChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3
InChIKeyQADPIUAOVZRREO-UHFFFAOYSA-N
XLogP4.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine (CID 146377504) is 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine is CCCCCC(C)(CC)c1ncnc(C)c1F.
What is the InChIKey of 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
The InChIKey is QADPIUAOVZRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-7-8-9-14(4,6-2)13-12(15)11(3)16-10-17-13/h10H,5-9H2,1-4H3.
What are the key properties of 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine?
5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine has a molecular weight of 238.35 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-6-(3-methyloctan-3-yl)pyrimidine is sourced from PubChem (CID 146377504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).