6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine

C20H17ClN6 — CID 19144885

IUPAC6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc2cccc(Nc3ncnc(Nc4cccc(Cl)c4)c3N)c2n1
InChIInChI=1S/C20H17ClN6/c1-12-8-9-13-4-2-7-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-6-3-5-14(21)10-15/h2-11H,22H2,1H3,(H2,23,24,26,27)
InChIKeySDLVSTITXYITCZ-UHFFFAOYSA-N
MW376.85 g/mol
LogP5.06
Rot. Bonds4

About 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine

6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144885) has the molecular formula C20H17ClN6 and a molecular weight of 376.85 g/mol. Its IUPAC name is 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
PubChem CID19144885
Molecular FormulaC20H17ClN6
Molecular Weight376.85 g/mol
Exact Mass376.12
IUPAC Name6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc2cccc(Nc3ncnc(Nc4cccc(Cl)c4)c3N)c2n1
InChIInChI=1S/C20H17ClN6/c1-12-8-9-13-4-2-7-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-6-3-5-14(21)10-15/h2-11H,22H2,1H3,(H2,23,24,26,27)
InChIKeySDLVSTITXYITCZ-UHFFFAOYSA-N
XLogP5.06
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.85
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
6-N-(3-chlorophenyl)-4-N-(2,3-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146835
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144945
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-4-chlorobenzohydrazide
CID 19144912
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144951
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine (CID 19144885) is 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine is Cc1ccc2cccc(Nc3ncnc(Nc4cccc(Cl)c4)c3N)c2n1.
What is the InChIKey of 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The InChIKey is SDLVSTITXYITCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6/c1-12-8-9-13-4-2-7-16(18(13)25-12)27-20-17(22)19(23-11-24-20)26-15-6-3-5-14(21)10-15/h2-11H,22H2,1H3,(H2,23,24,26,27).
What are the key properties of 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine has a molecular weight of 376.85 g/mol, XLogP of 5.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).