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

C21H19N5O — CID 3234053

IUPAC2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(NCc2cnc(C)cn2)c2ccccc2n1
InChIInChI=1S/C21H19N5O/c1-14-11-23-15(12-22-14)13-24-20-16-7-3-5-9-18(16)25-21(26-20)17-8-4-6-10-19(17)27-2/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyNXJAAAAQVKWCEV-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

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

2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3234053) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3234053
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1ccccc1-c1nc(NCc2cnc(C)cn2)c2ccccc2n1
InChIInChI=1S/C21H19N5O/c1-14-11-23-15(12-22-14)13-24-20-16-7-3-5-9-18(16)25-21(26-20)17-8-4-6-10-19(17)27-2/h3-12H,13H2,1-2H3,(H,24,25,26)
InChIKeyNXJAAAAQVKWCEV-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3234053) is 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is COc1ccccc1-c1nc(NCc2cnc(C)cn2)c2ccccc2n1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is NXJAAAAQVKWCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-11-23-15(12-22-14)13-24-20-16-7-3-5-9-18(16)25-21(26-20)17-8-4-6-10-19(17)27-2/h3-12H,13H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
2-(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 2-(2-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3234053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).