6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine

C24H22N8 — CID 155539676

IUPAC6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
SMILESCc1cc(N)c2cc(Nc3cc(Nc4ccc5nc(C)cc(N)c5c4)ncn3)ccc2n1
InChIInChI=1S/C24H22N8/c1-13-7-19(25)17-9-15(3-5-21(17)29-13)31-23-11-24(28-12-27-23)32-16-4-6-22-18(10-16)20(26)8-14(2)30-22/h3-12H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,28,31,32)
InChIKeyGQAMCIQIADSXEU-UHFFFAOYSA-N
MW422.50 g/mol
LogP4.84
Rot. Bonds4

About 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine

6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine (PubChem CID 155539676) has the molecular formula C24H22N8 and a molecular weight of 422.50 g/mol. Its IUPAC name is 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
PubChem CID155539676
Molecular FormulaC24H22N8
Molecular Weight422.50 g/mol
Exact Mass422.20
IUPAC Name6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine
SMILESCc1cc(N)c2cc(Nc3cc(Nc4ccc5nc(C)cc(N)c5c4)ncn3)ccc2n1
InChIInChI=1S/C24H22N8/c1-13-7-19(25)17-9-15(3-5-21(17)29-13)31-23-11-24(28-12-27-23)32-16-4-6-22-18(10-16)20(26)8-14(2)30-22/h3-12H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,28,31,32)
InChIKeyGQAMCIQIADSXEU-UHFFFAOYSA-N
XLogP4.84
TPSA127.66 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine?
The IUPAC name of 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine (CID 155539676) is 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine.
What is the SMILES notation for 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine?
The canonical SMILES for 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine is Cc1cc(N)c2cc(Nc3cc(Nc4ccc5nc(C)cc(N)c5c4)ncn3)ccc2n1.
What is the InChIKey of 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine?
The InChIKey is GQAMCIQIADSXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8/c1-13-7-19(25)17-9-15(3-5-21(17)29-13)31-23-11-24(28-12-27-23)32-16-4-6-22-18(10-16)20(26)8-14(2)30-22/h3-12H,1-2H3,(H2,25,29)(H2,26,30)(H2,27,28,31,32).
What are the key properties of 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine?
6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine has a molecular weight of 422.50 g/mol, XLogP of 4.84, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[6-[(4-amino-2-methylquinolin-6-yl)amino]pyrimidin-4-yl]-2-methylquinoline-4,6-diamine is sourced from PubChem (CID 155539676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).