4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine

C20H19N7 — CID 19144951

IUPAC4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2N)nc1
InChIInChI=1S/C20H19N7/c1-12-6-9-16(22-10-12)27-20-17(21)19(23-11-24-20)26-15-5-3-4-14-8-7-13(2)25-18(14)15/h3-11H,21H2,1-2H3,(H2,22,23,24,26,27)
InChIKeyBYHULNHXFLNYTK-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.11
Rot. Bonds4

About 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine

4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine (PubChem CID 19144951) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
PubChem CID19144951
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
SMILESCc1ccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2N)nc1
InChIInChI=1S/C20H19N7/c1-12-6-9-16(22-10-12)27-20-17(21)19(23-11-24-20)26-15-5-3-4-14-8-7-13(2)25-18(14)15/h3-11H,21H2,1-2H3,(H2,22,23,24,26,27)
InChIKeyBYHULNHXFLNYTK-UHFFFAOYSA-N
XLogP4.11
TPSA101.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine with MolForge

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Related Compounds

6-N-(2-methylquinolin-8-yl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135607
6-N-(3-chlorophenyl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144885
4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137200
4-N-(4-bromo-2-fluorophenyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144940
6-(3,5-dimethylpyrazol-1-yl)-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5-diamine
CID 19144993
4-N-(2-methylquinolin-8-yl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
CID 19144947
6-N-[(4-chlorophenyl)methyl]-4-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine
CID 19144907
N'-[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]benzohydrazide
CID 19144908
methyl 4-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19144895
1-[3-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547428
6-(2,2-diphenylhydrazinyl)-4-N-(5-methyl-2-pyridinyl)pyrimidine-4,5-diamine
CID 19146654
2-[[5-amino-6-[(2-methylquinolin-8-yl)amino]pyrimidin-4-yl]-ethylamino]ethanol
CID 19141107

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine (CID 19144951) is 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine is Cc1ccc(Nc2ncnc(Nc3cccc4ccc(C)nc34)c2N)nc1.
What is the InChIKey of 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
The InChIKey is BYHULNHXFLNYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-12-6-9-16(22-10-12)27-20-17(21)19(23-11-24-20)26-15-5-3-4-14-8-7-13(2)25-18(14)15/h3-11H,21H2,1-2H3,(H2,22,23,24,26,27).
What are the key properties of 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine?
4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine has a molecular weight of 357.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-2-pyridinyl)-6-N-(2-methylquinolin-8-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).