4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine

C13H17Cl2FN2 — CID 80550208

IUPAC4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)c(F)c(Cl)n2)CC1
InChIInChI=1S/C13H17Cl2FN2/c1-2-3-8-4-6-9(7-5-8)13-17-11(14)10(16)12(15)18-13/h8-9H,2-7H2,1H3
InChIKeyZCIQKCGTLUWURX-UHFFFAOYSA-N
MW291.20 g/mol
LogP5.00
Rot. Bonds3

About 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine

4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine (PubChem CID 80550208) has the molecular formula C13H17Cl2FN2 and a molecular weight of 291.20 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine
PubChem CID80550208
Molecular FormulaC13H17Cl2FN2
Molecular Weight291.20 g/mol
Exact Mass290.08
IUPAC Name4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine
SMILESCCCC1CCC(c2nc(Cl)c(F)c(Cl)n2)CC1
InChIInChI=1S/C13H17Cl2FN2/c1-2-3-8-4-6-9(7-5-8)13-17-11(14)10(16)12(15)18-13/h8-9H,2-7H2,1H3
InChIKeyZCIQKCGTLUWURX-UHFFFAOYSA-N
XLogP5.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.20
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Dichloro-2-cyclohexylpyrimidine
CID 59158239
4-Chloro-5-fluoro-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 65997839
4-Chloro-5-fluoro-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
CID 65998235
4-Chloro-2-(4-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine
CID 65999237
4-Chloro-5-fluoro-6-methyl-2-(4-propylcyclohexyl)pyrimidine
CID 66000430
4-Chloro-2-(3-ethylcyclohexyl)-5-fluoro-6-methylpyrimidine
CID 66000625
4,6-Dichloro-5-fluoro-2-(2-methylpropyl)pyrimidine
CID 79033232
4,6-Dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143
4,6-Dichloro-2-(3-ethylcyclopentyl)-5-fluoropyrimidine
CID 80550168
2-(4-Tert-butylcyclohexyl)-4,6-dichloro-5-fluoropyrimidine
CID 80550171
2-Butyl-4,6-dichloro-5-fluoropyrimidine
CID 80550184
4,6-Dichloro-2-cyclopentyl-5-fluoropyrimidine
CID 80550203

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine (CID 80550208) is 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine is CCCC1CCC(c2nc(Cl)c(F)c(Cl)n2)CC1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine?
The InChIKey is ZCIQKCGTLUWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2FN2/c1-2-3-8-4-6-9(7-5-8)13-17-11(14)10(16)12(15)18-13/h8-9H,2-7H2,1H3.
What are the key properties of 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine has a molecular weight of 291.20 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(4-propylcyclohexyl)pyrimidine is sourced from PubChem (CID 80550208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).