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

C19H14Cl2N6 — CID 22545033

IUPAC4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C19H14Cl2N6/c20-11-7-12(21)9-13(8-11)26-18-17(22)19(25-10-24-18)27-16-5-1-4-15-14(16)3-2-6-23-15/h1-10H,22H2,(H2,24,25,26,27)
InChIKeyMTVGKPDKZBJKKK-UHFFFAOYSA-N
MW397.27 g/mol
LogP5.40
Rot. Bonds4

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

4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine (PubChem CID 22545033) has the molecular formula C19H14Cl2N6 and a molecular weight of 397.27 g/mol. Its IUPAC name is 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
PubChem CID22545033
Molecular FormulaC19H14Cl2N6
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
SMILESNc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1cccc2ncccc12
InChIInChI=1S/C19H14Cl2N6/c20-11-7-12(21)9-13(8-11)26-18-17(22)19(25-10-24-18)27-16-5-1-4-15-14(16)3-2-6-23-15/h1-10H,22H2,(H2,24,25,26,27)
InChIKeyMTVGKPDKZBJKKK-UHFFFAOYSA-N
XLogP5.40
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.27
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine with MolForge

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Related Compounds

4-N-(3,5-dichlorophenyl)-5-nitro-6-N-quinolin-5-ylpyrimidine-4,6-diamine
CID 23483626
6-N-pyridin-3-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145481
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
dimethyl 5-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzene-1,3-dicarboxylate
CID 22547710
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-[4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 19152855
4-[[5-amino-6-(quinolin-5-ylamino)pyrimidin-4-yl]amino]benzoic acid
CID 19152886
6-N-[(2-chlorophenyl)methyl]-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152879
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-cyclopentyl-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19152871
4-N-(6-methyl-2-pyridinyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 22542411
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine (CID 22545033) is 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine is Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1Nc1cccc2ncccc12.
What is the InChIKey of 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
The InChIKey is MTVGKPDKZBJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N6/c20-11-7-12(21)9-13(8-11)26-18-17(22)19(25-10-24-18)27-16-5-1-4-15-14(16)3-2-6-23-15/h1-10H,22H2,(H2,24,25,26,27).
What are the key properties of 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine?
4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine has a molecular weight of 397.27 g/mol, XLogP of 5.40, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dichlorophenyl)-6-N-quinolin-5-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).