4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine

C14H14Cl2N4 — CID 95929569

IUPAC4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H14Cl2N4/c15-11-3-1-10(2-4-11)14-18-12(16)9-13(19-14)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyAUYCWJKGEQXNSK-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.86
Rot. Bonds2

About 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine

4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine (PubChem CID 95929569) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
PubChem CID95929569
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2nc(Cl)cc(N3CCNCC3)n2)cc1
InChIInChI=1S/C14H14Cl2N4/c15-11-3-1-10(2-4-11)14-18-12(16)9-13(19-14)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyAUYCWJKGEQXNSK-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766948
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
1-[4-(4-chlorophenyl)-2-pyridinyl]piperazine
CID 171059987
4-chloro-2-phenyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 2218329
1-(6-chloro-2-methylpyrimidin-4-yl)-1,4-diazepane
CID 121204773
7-chloro-3-piperazin-1-ylisoquinoline
CID 13025580
2-[4-(4-chlorophenyl)piperazin-1-yl]-4-phenyl-6-piperazin-1-yl-1,3,5-triazine
CID 11561156
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
2-(3-chlorophenyl)-4-piperazin-1-yl-6-propylpyrimidine
CID 56766929
2-phenyl-4-piperazin-1-yl-6-pyridin-2-ylpyrimidine
CID 56766861

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine (CID 95929569) is 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine is Clc1ccc(-c2nc(Cl)cc(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine?
The InChIKey is AUYCWJKGEQXNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-11-3-1-10(2-4-11)14-18-12(16)9-13(19-14)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine?
4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine has a molecular weight of 309.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-6-piperazin-1-ylpyrimidine is sourced from PubChem (CID 95929569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).