4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine

C15H12Cl3FN2 — CID 114488377

IUPAC4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
SMILESFc1c(Cl)cccc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C15H12Cl3FN2/c16-10-7-3-6-9(12(10)19)15-20-13(17)11(14(18)21-15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyLTBHVCHAEATCCZ-UHFFFAOYSA-N
MW345.63 g/mol
LogP5.90
Rot. Bonds2

About 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine

4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine (PubChem CID 114488377) has the molecular formula C15H12Cl3FN2 and a molecular weight of 345.63 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
PubChem CID114488377
Molecular FormulaC15H12Cl3FN2
Molecular Weight345.63 g/mol
Exact Mass344.01
IUPAC Name4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine
SMILESFc1c(Cl)cccc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1
InChIInChI=1S/C15H12Cl3FN2/c16-10-7-3-6-9(12(10)19)15-20-13(17)11(14(18)21-15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyLTBHVCHAEATCCZ-UHFFFAOYSA-N
XLogP5.90
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.63
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-fluorophenyl)-5-cyclopropyl-1H-1,2,4-triazole
CID 81266490
2-(3-chloro-2-fluorophenyl)-6-cyclopentyl-5-iodopyrimidin-4-amine
CID 114488770
4,6-dichloro-5-cyclopentyl-2-pyridin-2-ylpyrimidine
CID 112569415
4-chloro-2-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidine
CID 63034900
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
2-(3-chloro-2-fluorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 114488701
3-(3-bromo-2-fluorophenyl)-5-cyclopentyl-1H-1,2,4-triazole
CID 107954589
5-(3-chloro-2-fluorophenyl)-2H-tetrazole
CID 63034901
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
[3-[3-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclopropylmethanone
CID 119034022
5-cyclohexyl-3-(2,6-dichlorophenyl)-1H-1,2,4-triazole
CID 55221848
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
CID 115926474

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine (CID 114488377) is 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine is Fc1c(Cl)cccc1-c1nc(Cl)c(C2CCCC2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine?
The InChIKey is LTBHVCHAEATCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FN2/c16-10-7-3-6-9(12(10)19)15-20-13(17)11(14(18)21-15)8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine?
4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine has a molecular weight of 345.63 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chloro-2-fluorophenyl)-5-cyclopentylpyrimidine is sourced from PubChem (CID 114488377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).