4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine

C11H16ClFN2 — CID 123848599

IUPAC4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine
SMILESCC(C)CCC(C)(F)c1cc(Cl)ncn1
InChIInChI=1S/C11H16ClFN2/c1-8(2)4-5-11(3,13)9-6-10(12)15-7-14-9/h6-8H,4-5H2,1-3H3
InChIKeyZRLXKNAOUUJRJZ-UHFFFAOYSA-N
MW230.71 g/mol
LogP3.75
Rot. Bonds4

About 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine

4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine (PubChem CID 123848599) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine
PubChem CID123848599
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine
SMILESCC(C)CCC(C)(F)c1cc(Cl)ncn1
InChIInChI=1S/C11H16ClFN2/c1-8(2)4-5-11(3,13)9-6-10(12)15-7-14-9/h6-8H,4-5H2,1-3H3
InChIKeyZRLXKNAOUUJRJZ-UHFFFAOYSA-N
XLogP3.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine (CID 123848599) is 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine is CC(C)CCC(C)(F)c1cc(Cl)ncn1.
What is the InChIKey of 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine?
The InChIKey is ZRLXKNAOUUJRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2/c1-8(2)4-5-11(3,13)9-6-10(12)15-7-14-9/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine?
4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine has a molecular weight of 230.71 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-fluoro-5-methylhexan-2-yl)pyrimidine is sourced from PubChem (CID 123848599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).