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

C18H20ClN7 — CID 171997536

IUPAC6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3cnc4cc(Cl)ccc4n3)C2)ncn1
InChIInChI=1S/C18H20ClN7/c1-25(2)17-8-16(21-11-22-17)23-13-5-6-26(10-13)18-9-20-15-7-12(19)3-4-14(15)24-18/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,22,23)
InChIKeyKZLQTYOHMSAORT-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.83
Rot. Bonds4

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

6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (PubChem CID 171997536) has the molecular formula C18H20ClN7 and a molecular weight of 369.86 g/mol. Its IUPAC name is 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
PubChem CID171997536
Molecular FormulaC18H20ClN7
Molecular Weight369.86 g/mol
Exact Mass369.15
IUPAC Name6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
SMILESCN(C)c1cc(NC2CCN(c3cnc4cc(Cl)ccc4n3)C2)ncn1
InChIInChI=1S/C18H20ClN7/c1-25(2)17-8-16(21-11-22-17)23-13-5-6-26(10-13)18-9-20-15-7-12(19)3-4-14(15)24-18/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,22,23)
InChIKeyKZLQTYOHMSAORT-UHFFFAOYSA-N
XLogP2.83
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-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 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine (CID 171997536) is 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is CN(C)c1cc(NC2CCN(c3cnc4cc(Cl)ccc4n3)C2)ncn1.
What is the InChIKey of 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is KZLQTYOHMSAORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7/c1-25(2)17-8-16(21-11-22-17)23-13-5-6-26(10-13)18-9-20-15-7-12(19)3-4-14(15)24-18/h3-4,7-9,11,13H,5-6,10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine?
6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 369.86 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 171997536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).