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

C19H22ClN7 — CID 172903685

IUPAC4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(c3cnc4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C19H22ClN7/c1-25(2)19-21-8-6-17(24-19)26(3)14-7-9-27(12-14)18-11-22-16-10-13(20)4-5-15(16)23-18/h4-6,8,10-11,14H,7,9,12H2,1-3H3
InChIKeySGRCTHYUYHKTKV-UHFFFAOYSA-N
MW383.89 g/mol
LogP2.85
Rot. Bonds4

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

4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (PubChem CID 172903685) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
PubChem CID172903685
Molecular FormulaC19H22ClN7
Molecular Weight383.89 g/mol
Exact Mass383.16
IUPAC Name4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C2CCN(c3cnc4cc(Cl)ccc4n3)C2)n1
InChIInChI=1S/C19H22ClN7/c1-25(2)19-21-8-6-17(24-19)26(3)14-7-9-27(12-14)18-11-22-16-10-13(20)4-5-15(16)23-18/h4-6,8,10-11,14H,7,9,12H2,1-3H3
InChIKeySGRCTHYUYHKTKV-UHFFFAOYSA-N
XLogP2.85
TPSA61.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.89
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171999798
6-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 171997536
6-chloro-2-piperidin-1-ylquinoxaline
CID 171705162
6-chloro-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]quinoxaline
CID 163349464
N-[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172892228
3-chloro-5-[4-[[2-(dimethylamino)pyrimidin-4-yl]-methylamino]piperidin-1-yl]benzonitrile
CID 172903267
2-N,2-N,4-N-trimethyl-4-N-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172899884
4-N-cyclobutyl-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 126857010
N-[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 175651005
6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
CID 166603714
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657
N-[[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 172881971

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine (CID 172903685) is 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C2CCN(c3cnc4cc(Cl)ccc4n3)C2)n1.
What is the InChIKey of 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
The InChIKey is SGRCTHYUYHKTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7/c1-25(2)19-21-8-6-17(24-19)26(3)14-7-9-27(12-14)18-11-22-16-10-13(20)4-5-15(16)23-18/h4-6,8,10-11,14H,7,9,12H2,1-3H3.
What are the key properties of 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine?
4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine has a molecular weight of 383.89 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(6-chloroquinoxalin-2-yl)pyrrolidin-3-yl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 172903685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).