6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine

C21H19N5 — CID 112865422

IUPAC6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C21H19N5/c1-2-15-8-10-17(11-9-15)25-19-13-20(24-14-23-19)26-18-7-3-5-16-6-4-12-22-21(16)18/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKeyXIHSVZHBXAIGHF-UHFFFAOYSA-N
MW341.42 g/mol
LogP5.07
Rot. Bonds5

About 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine

6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112865422) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112865422
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1
InChIInChI=1S/C21H19N5/c1-2-15-8-10-17(11-9-15)25-19-13-20(24-14-23-19)26-18-7-3-5-16-6-4-12-22-21(16)18/h3-14H,2H2,1H3,(H2,23,24,25,26)
InChIKeyXIHSVZHBXAIGHF-UHFFFAOYSA-N
XLogP5.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.42
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112877598
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
6-N-[(3-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859132
6-N-quinolin-8-yl-4-N-(2,3,4-trifluorophenyl)pyrimidine-4,6-diamine
CID 112867081
6-N-[(3,4-dimethoxyphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112862636
4-N-quinolin-8-yl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866573
N-(4-ethylphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928200
methyl 2-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112865413
N,N-diethyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109353483

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112865422) is 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine is CCc1ccc(Nc2cc(Nc3cccc4cccnc34)ncn2)cc1.
What is the InChIKey of 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is XIHSVZHBXAIGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-2-15-8-10-17(11-9-15)25-19-13-20(24-14-23-19)26-18-7-3-5-16-6-4-12-22-21(16)18/h3-14H,2H2,1H3,(H2,23,24,25,26).
What are the key properties of 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 341.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112865422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).