4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride

C19H19Cl2N5 — CID 156865983

IUPAC4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
SMILESCl.Clc1ccc(-c2cc(N3CCNCC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18ClN5.ClH/c20-16-5-3-14(4-6-16)17-12-18(25-10-8-21-9-11-25)24-19(23-17)15-2-1-7-22-13-15;/h1-7,12-13,21H,8-11H2;1H
InChIKeyXTELZYARWWIKHY-UHFFFAOYSA-N
MW388.30 g/mol
LogP3.69
Rot. Bonds3

About 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride

4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride (PubChem CID 156865983) has the molecular formula C19H19Cl2N5 and a molecular weight of 388.30 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
PubChem CID156865983
Molecular FormulaC19H19Cl2N5
Molecular Weight388.30 g/mol
Exact Mass387.10
IUPAC Name4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
SMILESCl.Clc1ccc(-c2cc(N3CCNCC3)nc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18ClN5.ClH/c20-16-5-3-14(4-6-16)17-12-18(25-10-8-21-9-11-25)24-19(23-17)15-2-1-7-22-13-15;/h1-7,12-13,21H,8-11H2;1H
InChIKeyXTELZYARWWIKHY-UHFFFAOYSA-N
XLogP3.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride?
The IUPAC name of 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride (CID 156865983) is 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride.
What is the SMILES notation for 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride?
The canonical SMILES for 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride is Cl.Clc1ccc(-c2cc(N3CCNCC3)nc(-c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride?
The InChIKey is XTELZYARWWIKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5.ClH/c20-16-5-3-14(4-6-16)17-12-18(25-10-8-21-9-11-25)24-19(23-17)15-2-1-7-22-13-15;/h1-7,12-13,21H,8-11H2;1H.
What are the key properties of 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride?
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride has a molecular weight of 388.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride is sourced from PubChem (CID 156865983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).