6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

C10H16ClN5 — CID 13151078

IUPAC6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(Cl)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16ClN5/c1-12-9-7-8(11)13-10(14-9)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyGCGYVXOJQSHMMW-UHFFFAOYSA-N
MW241.73 g/mol
LogP0.92
Rot. Bonds2

About 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine

6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 13151078) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID13151078
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine
SMILESCNc1cc(Cl)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C10H16ClN5/c1-12-9-7-8(11)13-10(14-9)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyGCGYVXOJQSHMMW-UHFFFAOYSA-N
XLogP0.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-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 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine (CID 13151078) is 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is CNc1cc(Cl)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is GCGYVXOJQSHMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-12-9-7-8(11)13-10(14-9)16-5-3-15(2)4-6-16/h7H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine?
6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 241.73 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 13151078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).