2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine

C18H24ClN7 — CID 166601472

IUPAC2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ccnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)CC1
InChIInChI=1S/C18H24ClN7/c1-23-6-8-25(9-7-23)17-4-5-20-18(22-17)26-12-10-24(11-13-26)16-3-2-15(19)14-21-16/h2-5,14H,6-13H2,1H3
InChIKeyLMSBFJQPTWATCU-UHFFFAOYSA-N
MW373.89 g/mol
LogP1.60
Rot. Bonds3

About 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine

2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 166601472) has the molecular formula C18H24ClN7 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID166601472
Molecular FormulaC18H24ClN7
Molecular Weight373.89 g/mol
Exact Mass373.18
IUPAC Name2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2ccnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)CC1
InChIInChI=1S/C18H24ClN7/c1-23-6-8-25(9-7-23)17-4-5-20-18(22-17)26-12-10-24(11-13-26)16-3-2-15(19)14-21-16/h2-5,14H,6-13H2,1H3
InChIKeyLMSBFJQPTWATCU-UHFFFAOYSA-N
XLogP1.60
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine (CID 166601472) is 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2ccnc(N3CCN(c4ccc(Cl)cn4)CC3)n2)CC1.
What is the InChIKey of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is LMSBFJQPTWATCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7/c1-23-6-8-25(9-7-23)17-4-5-20-18(22-17)26-12-10-24(11-13-26)16-3-2-15(19)14-21-16/h2-5,14H,6-13H2,1H3.
What are the key properties of 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine?
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 373.89 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 166601472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).