5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine

C13H21FN2 — CID 130435883

IUPAC5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine
SMILESCCCC(C)(CCC)c1ncc(F)c(C)n1
InChIInChI=1S/C13H21FN2/c1-5-7-13(4,8-6-2)12-15-9-11(14)10(3)16-12/h9H,5-8H2,1-4H3
InChIKeyHWMNIMAUTRDLGS-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.78
Rot. Bonds5

About 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine

5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine (PubChem CID 130435883) has the molecular formula C13H21FN2 and a molecular weight of 224.32 g/mol. Its IUPAC name is 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine
PubChem CID130435883
Molecular FormulaC13H21FN2
Molecular Weight224.32 g/mol
Exact Mass224.17
IUPAC Name5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine
SMILESCCCC(C)(CCC)c1ncc(F)c(C)n1
InChIInChI=1S/C13H21FN2/c1-5-7-13(4,8-6-2)12-15-9-11(14)10(3)16-12/h9H,5-8H2,1-4H3
InChIKeyHWMNIMAUTRDLGS-UHFFFAOYSA-N
XLogP3.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine?
The IUPAC name of 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine (CID 130435883) is 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine?
The canonical SMILES for 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine is CCCC(C)(CCC)c1ncc(F)c(C)n1.
What is the InChIKey of 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine?
The InChIKey is HWMNIMAUTRDLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2/c1-5-7-13(4,8-6-2)12-15-9-11(14)10(3)16-12/h9H,5-8H2,1-4H3.
What are the key properties of 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine?
5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine has a molecular weight of 224.32 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-2-(4-methylheptan-4-yl)pyrimidine is sourced from PubChem (CID 130435883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).