2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine

C12H13ClFN5 — CID 162719985

IUPAC2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cn(C2CCCCC2)nn1
InChIInChI=1S/C12H13ClFN5/c13-12-15-6-9(14)11(16-12)10-7-19(18-17-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyRPDBAZMFQJBAPL-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.03
Rot. Bonds2

About 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine

2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine (PubChem CID 162719985) has the molecular formula C12H13ClFN5 and a molecular weight of 281.72 g/mol. Its IUPAC name is 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine
PubChem CID162719985
Molecular FormulaC12H13ClFN5
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC Name2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine
SMILESFc1cnc(Cl)nc1-c1cn(C2CCCCC2)nn1
InChIInChI=1S/C12H13ClFN5/c13-12-15-6-9(14)11(16-12)10-7-19(18-17-10)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyRPDBAZMFQJBAPL-UHFFFAOYSA-N
XLogP3.03
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminophenyl)-4-[[4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidin-2-yl]amino]benzamide
CID 175193338
1,4-dicyclohexyltriazole
CID 46204135
4-(2-chloro-5-fluoropyrimidin-4-yl)-7-cyclopentyl-6-methylpyrrolo[2,3-d]pyrimidine
CID 137497353
2-chloro-5-fluoro-4-[1-(oxetan-3-yl)pyrazol-4-yl]pyrimidine
CID 171627470
2,5-dichloro-4-(1-cyclobutylpyrazol-4-yl)pyrimidine
CID 171627252
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
5-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopentyl-2,6-dimethylthieno[2,3-d]imidazole
CID 164709946
4-(bromomethyl)-1-cycloheptyltriazole
CID 82930345
2-chloro-5-fluoro-4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidine
CID 130301051
6-(2-chloro-5-fluoropyrimidin-4-yl)-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 137497434
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-cyclobutyl-8-fluoro-2,3-dihydro-1,4-benzoxazine
CID 139390078
(3S)-3-[[4-(1-cyclohexylpyrazol-3-yl)-5-fluoropyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 172592078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine (CID 162719985) is 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine is Fc1cnc(Cl)nc1-c1cn(C2CCCCC2)nn1.
What is the InChIKey of 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine?
The InChIKey is RPDBAZMFQJBAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN5/c13-12-15-6-9(14)11(16-12)10-7-19(18-17-10)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine?
2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine has a molecular weight of 281.72 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-cyclohexyltriazol-4-yl)-5-fluoropyrimidine is sourced from PubChem (CID 162719985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).