6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine

C22H21N5 — CID 112877598

IUPAC6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3cccc4cccnc34)nc(C)n2)cc1
InChIInChI=1S/C22H21N5/c1-3-16-9-11-18(12-10-16)26-20-14-21(25-15(2)24-20)27-19-8-4-6-17-7-5-13-23-22(17)19/h4-14H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyAKKIUELETOJGNN-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.38
Rot. Bonds5

About 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine

6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine (PubChem CID 112877598) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
PubChem CID112877598
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine
SMILESCCc1ccc(Nc2cc(Nc3cccc4cccnc34)nc(C)n2)cc1
InChIInChI=1S/C22H21N5/c1-3-16-9-11-18(12-10-16)26-20-14-21(25-15(2)24-20)27-19-8-4-6-17-7-5-13-23-22(17)19/h4-14H,3H2,1-2H3,(H2,24,25,26,27)
InChIKeyAKKIUELETOJGNN-UHFFFAOYSA-N
XLogP5.38
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
6-N-(4-ethylphenyl)-4-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877576
N-(4-ethoxyphenyl)-2-methyl-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 112850661
N-[4-[[6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866755
6-N-[(4-methylphenyl)methyl]-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112859264
6-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877582
4-N-quinolin-8-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112866611
6-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112866920
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
6-methyl-2-N-(4-pyrrolidin-1-ylphenyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112931777
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
CID 132526899

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine (CID 112877598) is 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine is CCc1ccc(Nc2cc(Nc3cccc4cccnc34)nc(C)n2)cc1.
What is the InChIKey of 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
The InChIKey is AKKIUELETOJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-3-16-9-11-18(12-10-16)26-20-14-21(25-15(2)24-20)27-19-8-4-6-17-7-5-13-23-22(17)19/h4-14H,3H2,1-2H3,(H2,24,25,26,27).
What are the key properties of 6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine?
6-N-(4-ethylphenyl)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine has a molecular weight of 355.45 g/mol, XLogP of 5.38, 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)-2-methyl-4-N-quinolin-8-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 112877598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).