4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine

C21H20N6 — CID 22547024

IUPAC4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3cccc4cccnc34)c2N)c1
InChIInChI=1S/C21H20N6/c1-13-8-9-14(2)17(11-13)27-21-18(22)20(24-12-25-21)26-16-7-3-5-15-6-4-10-23-19(15)16/h3-12H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeySPWFAEIQTYVMHF-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.71
Rot. Bonds4

About 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine

4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine (PubChem CID 22547024) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
PubChem CID22547024
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
SMILESCc1ccc(C)c(Nc2ncnc(Nc3cccc4cccnc34)c2N)c1
InChIInChI=1S/C21H20N6/c1-13-8-9-14(2)17(11-13)27-21-18(22)20(24-12-25-21)26-16-7-3-5-15-6-4-10-23-19(15)16/h3-12H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeySPWFAEIQTYVMHF-UHFFFAOYSA-N
XLogP4.71
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(3-methyl-2-pyridinyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144579
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144764
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547040
6-N-(2,4-dimethylphenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547014
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144759
4-N-(2,5-dimethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22547055
6-N-(4-bromophenyl)-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144751
3-N-(2,5-dimethylphenyl)-5-N-quinolin-8-yl-1,2,4-triazine-3,5-diamine
CID 112963276
3-methyl-2-N-quinolin-8-ylpyridine-2,5-diamine
CID 62476690
4-N-(2-methoxy-5-methylphenyl)-6-quinolin-8-ylsulfanylpyrimidine-4,5-diamine
CID 22542015

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine (CID 22547024) is 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine is Cc1ccc(C)c(Nc2ncnc(Nc3cccc4cccnc34)c2N)c1.
What is the InChIKey of 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
The InChIKey is SPWFAEIQTYVMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-8-9-14(2)17(11-13)27-21-18(22)20(24-12-25-21)26-16-7-3-5-15-6-4-10-23-19(15)16/h3-12H,22H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine?
4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine has a molecular weight of 356.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dimethylphenyl)-6-N-quinolin-8-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22547024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).