5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine

C9H14ClN5 — CID 80836914

IUPAC5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H14ClN5/c1-11-9-13-6-7(10)8(14-9)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H,11,13,14)
InChIKeyXCHKVCMGUFNMRR-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.58
Rot. Bonds2

About 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine

5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 80836914) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
PubChem CID80836914
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(N2CCNCC2)n1
InChIInChI=1S/C9H14ClN5/c1-11-9-13-6-7(10)8(14-9)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H,11,13,14)
InChIKeyXCHKVCMGUFNMRR-UHFFFAOYSA-N
XLogP0.58
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine 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 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine (CID 80836914) is 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine is CNc1ncc(Cl)c(N2CCNCC2)n1.
What is the InChIKey of 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is XCHKVCMGUFNMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-11-9-13-6-7(10)8(14-9)15-4-2-12-3-5-15/h6,12H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine?
5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 227.70 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 80836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).