4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine

C15H14Cl3N3 — CID 23766927

IUPAC4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine
SMILESClc1ccc(-c2nc(Cl)c(Cl)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H14Cl3N3/c16-11-6-4-10(5-7-11)14-19-13(18)12(17)15(20-14)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2
InChIKeyWLVCNJGBNFHWNU-UHFFFAOYSA-N
MW342.66 g/mol
LogP5.09
Rot. Bonds2

About 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine

4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine (PubChem CID 23766927) has the molecular formula C15H14Cl3N3 and a molecular weight of 342.66 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine
PubChem CID23766927
Molecular FormulaC15H14Cl3N3
Molecular Weight342.66 g/mol
Exact Mass341.03
IUPAC Name4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine
SMILESClc1ccc(-c2nc(Cl)c(Cl)c(N3CCCCC3)n2)cc1
InChIInChI=1S/C15H14Cl3N3/c16-11-6-4-10(5-7-11)14-19-13(18)12(17)15(20-14)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2
InChIKeyWLVCNJGBNFHWNU-UHFFFAOYSA-N
XLogP5.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.66
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498
5-chloro-2-phenyl-4-piperidin-1-ylpyrimidine
CID 59517761
2-(4-chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)quinazoline
CID 20963273
1-[2-(4-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-1,4-diazepane
CID 56767279
1-[2-(4-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]piperidin-4-amine
CID 56767166
2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
CID 25133120
6-(4-chlorophenyl)-4-piperidin-1-ylquinazoline
CID 69016475
2-(azepan-1-yl)-4-(4-chlorophenyl)imidazol-1-amine
CID 15158198
2-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)quinazoline
CID 20963253
4-(azepan-1-yl)-2-(4-tert-butylphenyl)quinazoline
CID 23852302
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine (CID 23766927) is 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine is Clc1ccc(-c2nc(Cl)c(Cl)c(N3CCCCC3)n2)cc1.
What is the InChIKey of 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine?
The InChIKey is WLVCNJGBNFHWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N3/c16-11-6-4-10(5-7-11)14-19-13(18)12(17)15(20-14)21-8-2-1-3-9-21/h4-7H,1-3,8-9H2.
What are the key properties of 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine?
4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine has a molecular weight of 342.66 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-chlorophenyl)-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 23766927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).