2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

C19H22ClN7 — CID 171999798

IUPAC2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C19H22ClN7/c1-26(2)17-7-8-21-19(25-17)23-14-4-3-9-27(12-14)18-11-22-16-10-13(20)5-6-15(16)24-18/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,23,25)
InChIKeyNEIBJCNRLAEQKZ-UHFFFAOYSA-N
MW383.89 g/mol
LogP3.22
Rot. Bonds4

About 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine

2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (PubChem CID 171999798) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
PubChem CID171999798
Molecular FormulaC19H22ClN7
Molecular Weight383.89 g/mol
Exact Mass383.16
IUPAC Name2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ccnc(NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C19H22ClN7/c1-26(2)17-7-8-21-19(25-17)23-14-4-3-9-27(12-14)18-11-22-16-10-13(20)5-6-15(16)24-18/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,23,25)
InChIKeyNEIBJCNRLAEQKZ-UHFFFAOYSA-N
XLogP3.22
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine 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-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine (CID 171999798) is 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ccnc(NC2CCCN(c3cnc4cc(Cl)ccc4n3)C2)n1.
What is the InChIKey of 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is NEIBJCNRLAEQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7/c1-26(2)17-7-8-21-19(25-17)23-14-4-3-9-27(12-14)18-11-22-16-10-13(20)5-6-15(16)24-18/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,23,25).
What are the key properties of 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine?
2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 383.89 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 171999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).