4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine

C14H17ClN6 — CID 139028592

IUPAC4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(c3ncc(Cl)cn3)CC2)c1C
InChIInChI=1S/C14H17ClN6/c1-10-11(2)18-9-19-13(10)20-3-5-21(6-4-20)14-16-7-12(15)8-17-14/h7-9H,3-6H2,1-2H3
InChIKeyOLQNRFVJTRJYPF-UHFFFAOYSA-N
MW304.79 g/mol
LogP1.86
Rot. Bonds2

About 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine

4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine (PubChem CID 139028592) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
PubChem CID139028592
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine
SMILESCc1ncnc(N2CCN(c3ncc(Cl)cn3)CC2)c1C
InChIInChI=1S/C14H17ClN6/c1-10-11(2)18-9-19-13(10)20-3-5-21(6-4-20)14-16-7-12(15)8-17-14/h7-9H,3-6H2,1-2H3
InChIKeyOLQNRFVJTRJYPF-UHFFFAOYSA-N
XLogP1.86
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine 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 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine?
The IUPAC name of 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine (CID 139028592) is 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine.
What is the SMILES notation for 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine?
The canonical SMILES for 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine is Cc1ncnc(N2CCN(c3ncc(Cl)cn3)CC2)c1C.
What is the InChIKey of 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine?
The InChIKey is OLQNRFVJTRJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c1-10-11(2)18-9-19-13(10)20-3-5-21(6-4-20)14-16-7-12(15)8-17-14/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine?
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine has a molecular weight of 304.79 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylpyrimidine is sourced from PubChem (CID 139028592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).