2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C19H13Cl2N5 — CID 112906494

IUPAC2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2nccc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C19H13Cl2N5/c20-13-6-7-14(21)16(11-13)25-19-23-10-8-17(26-19)24-15-5-1-3-12-4-2-9-22-18(12)15/h1-11H,(H2,23,24,25,26)
InChIKeyFOSINXICLFZTLI-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.82
Rot. Bonds4

About 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112906494) has the molecular formula C19H13Cl2N5 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112906494
Molecular FormulaC19H13Cl2N5
Molecular Weight382.25 g/mol
Exact Mass381.05
IUPAC Name2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2nccc(Nc3cccc4cccnc34)n2)c1
InChIInChI=1S/C19H13Cl2N5/c20-13-6-7-14(21)16(11-13)25-19-23-10-8-17(26-19)24-15-5-1-3-12-4-2-9-22-18(12)15/h1-11H,(H2,23,24,25,26)
InChIKeyFOSINXICLFZTLI-UHFFFAOYSA-N
XLogP5.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2,5-dichlorophenyl)-6-methyl-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112932059
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
2-N-(2,5-dichlorophenyl)-4-N-(3,4-difluorophenyl)pyrimidine-2,4-diamine
CID 112906684
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
N'-(2,5-dichlorophenyl)-N-quinolin-8-yloxamide
CID 108501076
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652
1-[3-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112905650
4-N-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
4-[[4-(2,5-dichloroanilino)pyrimidin-2-yl]amino]benzonitrile
CID 112906674

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112906494) is 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is Clc1ccc(Cl)c(Nc2nccc(Nc3cccc4cccnc34)n2)c1.
What is the InChIKey of 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is FOSINXICLFZTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5/c20-13-6-7-14(21)16(11-13)25-19-23-10-8-17(26-19)24-15-5-1-3-12-4-2-9-22-18(12)15/h1-11H,(H2,23,24,25,26).
What are the key properties of 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 382.25 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112906494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).