2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine

C23H24N6 — CID 112906119

IUPAC2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C23H24N6/c1-3-29(4-2)19-12-10-18(11-13-19)26-23-25-16-14-21(28-23)27-20-9-5-7-17-8-6-15-24-22(17)20/h5-16H,3-4H2,1-2H3,(H2,25,26,27,28)
InChIKeyLALIKGSPPUXELI-UHFFFAOYSA-N
MW384.49 g/mol
LogP5.36
Rot. Bonds7

About 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine

2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112906119) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112906119
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ccc(Nc2nccc(Nc3cccc4cccnc34)n2)cc1
InChIInChI=1S/C23H24N6/c1-3-29(4-2)19-12-10-18(11-13-19)26-23-25-16-14-21(28-23)27-20-9-5-7-17-8-6-15-24-22(17)20/h5-16H,3-4H2,1-2H3,(H2,25,26,27,28)
InChIKeyLALIKGSPPUXELI-UHFFFAOYSA-N
XLogP5.36
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906512
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906499
4-N-(2-ethoxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112904843
4-[[4-[4-(diethylamino)anilino]pyrimidin-2-yl]amino]benzonitrile
CID 112906110
4-N-(4-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905205
3-[[2-[4-(diethylamino)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113193758
4-N-(2-tert-butylphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112903339
4-N-(3-chloro-4-methylphenyl)-2-N-[4-(diethylamino)phenyl]pyrimidine-2,4-diamine
CID 112904070
4-N-(2-propan-2-yloxyphenyl)-2-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112905125
ethyl 2-[[2-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate
CID 112906513
ethyl 2-[[4-(quinolin-8-ylamino)pyrimidin-2-yl]amino]benzoate
CID 112906500
2-N-(2,5-dichlorophenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112906494

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112906119) is 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine is CCN(CC)c1ccc(Nc2nccc(Nc3cccc4cccnc34)n2)cc1.
What is the InChIKey of 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is LALIKGSPPUXELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-3-29(4-2)19-12-10-18(11-13-19)26-23-25-16-14-21(28-23)27-20-9-5-7-17-8-6-15-24-22(17)20/h5-16H,3-4H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine?
2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 384.49 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)phenyl]-4-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112906119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).