4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine

C13H18ClFN2 — CID 66000625

IUPAC4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine
SMILESCCC1CCCC(c2nc(C)c(F)c(Cl)n2)C1
InChIInChI=1S/C13H18ClFN2/c1-3-9-5-4-6-10(7-9)13-16-8(2)11(15)12(14)17-13/h9-10H,3-7H2,1-2H3
InChIKeyJEQNOENCVKFANI-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.26
Rot. Bonds2

About 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine

4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine (PubChem CID 66000625) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine
PubChem CID66000625
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC Name4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine
SMILESCCC1CCCC(c2nc(C)c(F)c(Cl)n2)C1
InChIInChI=1S/C13H18ClFN2/c1-3-9-5-4-6-10(7-9)13-16-8(2)11(15)12(14)17-13/h9-10H,3-7H2,1-2H3
InChIKeyJEQNOENCVKFANI-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine (CID 66000625) is 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine is CCC1CCCC(c2nc(C)c(F)c(Cl)n2)C1.
What is the InChIKey of 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine?
The InChIKey is JEQNOENCVKFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-3-9-5-4-6-10(7-9)13-16-8(2)11(15)12(14)17-13/h9-10H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine?
4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine has a molecular weight of 256.75 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 66000625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).