6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

C21H20N6 — CID 19143217

IUPAC6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c1C
InChIInChI=1S/C21H20N6/c1-13-6-3-8-16(14(13)2)26-20-19(22)21(25-12-24-20)27-18-10-4-9-17-15(18)7-5-11-23-17/h3-12H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeySBLIUDNXBMFKPL-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.71
Rot. Bonds4

About 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine

6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 19143217) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID19143217
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c1C
InChIInChI=1S/C21H20N6/c1-13-6-3-8-16(14(13)2)26-20-19(22)21(25-12-24-20)27-18-10-4-9-17-15(18)7-5-11-23-17/h3-12H,22H2,1-2H3,(H2,24,25,26,27)
InChIKeySBLIUDNXBMFKPL-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

6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
N'-[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]-2-methylbenzohydrazide
CID 19150903
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22545033
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
dimethyl 5-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547710

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 19143217) is 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3cccc4ncccc34)c2N)c1C.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is SBLIUDNXBMFKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-6-3-8-16(14(13)2)26-20-19(22)21(25-12-24-20)27-18-10-4-9-17-15(18)7-5-11-23-17/h3-12H,22H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-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 6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).