2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C21H19N5O — CID 3234799

IUPAC2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3cnc(C)cn3)c3ccccc3n2)c1
InChIInChI=1S/C21H19N5O/c1-14-11-23-16(12-22-14)13-24-21-18-8-3-4-9-19(18)25-20(26-21)15-6-5-7-17(10-15)27-2/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyJPVLUPLFPPCVAQ-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3234799) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3234799
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2nc(NCc3cnc(C)cn3)c3ccccc3n2)c1
InChIInChI=1S/C21H19N5O/c1-14-11-23-16(12-22-14)13-24-21-18-8-3-4-9-19(18)25-20(26-21)15-6-5-7-17(10-15)27-2/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyJPVLUPLFPPCVAQ-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

Bos172722
CID 73386890
Verubulin
CID 11414799
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
6-Methoxyquinazoline
CID 13126887
CP-31398
CID 9950868
Evp4593
CID 509554
6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
N6-(2,5-Dimethoxy-Benzyl)-N6-Methyl-Pyrido[2,3-D]Pyrimidine-2,4,6-Triamine
CID 444617
2,4-Diamino-6-(N-(3',5'-Dimethoxybenzyl)-N-Methylamino)Pyrido(2,3-D)Pyrimidine
CID 447022
N-(4-Phenoxyphenyl)-4-quinazolinamine
CID 712152
N-(3-bromophenyl)-6-methoxypyrido[3,4-d]pyrimidin-4-amine
CID 5328262
4-N-(3-bromophenyl)-6-N-[(4-methoxyphenyl)methyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328263

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3234799) is 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is COc1cccc(-c2nc(NCc3cnc(C)cn3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is JPVLUPLFPPCVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-11-23-16(12-22-14)13-24-21-18-8-3-4-9-19(18)25-20(26-21)15-6-5-7-17(10-15)27-2/h3-12H,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
2-(3-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 2-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).