6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C21H19N5O — CID 3234919

IUPAC6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(NCc3cnc(C)cn3)c2c1
InChIInChI=1S/C21H19N5O/c1-14-10-23-16(11-22-14)12-24-21-18-9-15(7-8-19(18)25-13-26-21)17-5-3-4-6-20(17)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyQRWFSUABPUTEEE-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3234919) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3234919
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1ccc2ncnc(NCc3cnc(C)cn3)c2c1
InChIInChI=1S/C21H19N5O/c1-14-10-23-16(11-22-14)12-24-21-18-9-15(7-8-19(18)25-13-26-21)17-5-3-4-6-20(17)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyQRWFSUABPUTEEE-UHFFFAOYSA-N
XLogP4.02
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Cp-724714
CID 9874913
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Ethyl-5-{3-[2-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149549
6-Ethyl-5-{3-[3-Methoxy-5-(Pyridin-4-Yl)phenyl]prop-1-Yn-1-Yl}pyrimidine-2,4-Diamine
CID 57149550
2-Aminoquinazoline 20
CID 5330318
N8-[(2S)-3,3-dimethylbutan-2-yl]-N2-[2-methoxy-4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyrido[3,4-d]pyrimidine-2,8-diamine
CID 73386882
N2-(2-Methoxy-4-(1-Methyl-1h-Pyrazol-4-Yl)phenyl)-N8-Neopentylpyrido[3,4-D]pyrimidine-2,8-Diamine
CID 73387064
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
6-Ethyl-5-[3-(3-methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]pyrimidine-2,4-diamine
CID 71525312
5-[3-(3-Methoxy-5-pyridin-4-ylphenyl)but-1-ynyl]-6-methylpyrimidine-2,4-diamine
CID 71560291

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3234919) is 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is COc1ccccc1-c1ccc2ncnc(NCc3cnc(C)cn3)c2c1.
What is the InChIKey of 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is QRWFSUABPUTEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-10-23-16(11-22-14)12-24-21-18-9-15(7-8-19(18)25-13-26-21)17-5-3-4-6-20(17)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine has a molecular weight of 357.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).