4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine

C22H21N5 — CID 112928811

IUPAC4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H21N5/c1-3-27(18-11-5-4-6-12-18)20-15-16(2)24-22(26-20)25-19-13-7-9-17-10-8-14-23-21(17)19/h4-15H,3H2,1-2H3,(H,24,25,26)
InChIKeyCAAVWRRLXXQZFZ-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.23
Rot. Bonds5

About 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine

4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (PubChem CID 112928811) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
PubChem CID112928811
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine
SMILESCCN(c1ccccc1)c1cc(C)nc(Nc2cccc3cccnc23)n1
InChIInChI=1S/C22H21N5/c1-3-27(18-11-5-4-6-12-18)20-15-16(2)24-22(26-20)25-19-13-7-9-17-10-8-14-23-21(17)19/h4-15H,3H2,1-2H3,(H,24,25,26)
InChIKeyCAAVWRRLXXQZFZ-UHFFFAOYSA-N
XLogP5.23
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(2-ethoxyphenyl)-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928782
4-N-ethyl-2-N-(2-methoxyphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112928779
N-ethyl-6-methyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109336437
4-N-ethyl-6-methyl-4-N-(3-methylphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926991
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805
2-N-butan-2-yl-4-N-ethyl-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112909138
6-methyl-N-(2-phenylethyl)-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109330522
methyl 4-chloro-3-[[4-(N-ethylanilino)-6-methylpyrimidin-2-yl]amino]benzoate
CID 112928800
6-methyl-2-N-quinolin-8-yl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112931278
4-N-ethyl-6-methyl-4-N-phenyl-2-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112928803
N-ethyl-N-phenyl-2-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109315906
2-N-(2-bromophenyl)-4-N-ethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112902939

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine (CID 112928811) is 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is CCN(c1ccccc1)c1cc(C)nc(Nc2cccc3cccnc23)n1.
What is the InChIKey of 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
The InChIKey is CAAVWRRLXXQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-3-27(18-11-5-4-6-12-18)20-15-16(2)24-22(26-20)25-19-13-7-9-17-10-8-14-23-21(17)19/h4-15H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine?
4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine has a molecular weight of 355.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-methyl-4-N-phenyl-2-N-quinolin-8-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 112928811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).