2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

C21H19N5O2 — CID 10109869

IUPAC2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1
InChIInChI=1S/C21H19N5O2/c1-27-17-10-15(11-18(12-17)28-2)25-21-22-8-7-20(26-21)24-16-9-14-5-3-4-6-19(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26)
InChIKeyWPLNQGXOVZEUGW-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.53
Rot. Bonds6

About 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine

2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (PubChem CID 10109869) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
PubChem CID10109869
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
SMILESCOc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1
InChIInChI=1S/C21H19N5O2/c1-27-17-10-15(11-18(12-17)28-2)25-21-22-8-7-20(26-21)24-16-9-14-5-3-4-6-19(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26)
InChIKeyWPLNQGXOVZEUGW-UHFFFAOYSA-N
XLogP4.53
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
N-{2-[(tert-butylcarbamoyl)amino]-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl}acetamide
CID 5329001
1,6-Naphthyridine 20
CID 5330130
1,6-Naphthyridine 23
CID 5330133
2-Aminoquinazoline 20
CID 5330318
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
2,4-Diamino-6-[N-(3',4',5'-Trimethoxybenzyl)-N-Methylamino]Pyrido[2,3-D]Pyrimidine
CID 447229
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
3-(3,5-dimethoxyphenyl)-7-N-[3-(4-methylpiperazin-1-yl)propyl]-1,6-naphthyridine-2,7-diamine
CID 5330125
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
1-(7-Methoxyquinolin-4-yl)-3-[6-(trifluoromethyl)pyridin-2-yl]urea
CID 49830684
1,6-Naphthyridine 17
CID 5330127

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine (CID 10109869) is 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1.
What is the InChIKey of 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
The InChIKey is WPLNQGXOVZEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-17-10-15(11-18(12-17)28-2)25-21-22-8-7-20(26-21)24-16-9-14-5-3-4-6-19(14)23-13-16/h3-13H,1-2H3,(H2,22,24,25,26).
What are the key properties of 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine?
2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine has a molecular weight of 373.42 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 10109869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).