6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

C21H19N5O — CID 3233843

IUPAC6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cnc(C)cn4)c3c2)c1
InChIInChI=1S/C21H19N5O/c1-14-10-23-17(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-18(8-15)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyHWQKXWWKSLBGGN-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.02
Rot. Bonds5

About 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine

6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (PubChem CID 3233843) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
PubChem CID3233843
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine
SMILESCOc1cccc(-c2ccc3ncnc(NCc4cnc(C)cn4)c3c2)c1
InChIInChI=1S/C21H19N5O/c1-14-10-23-17(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-18(8-15)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26)
InChIKeyHWQKXWWKSLBGGN-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 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine (CID 3233843) is 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is COc1cccc(-c2ccc3ncnc(NCc4cnc(C)cn4)c3c2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
The InChIKey is HWQKXWWKSLBGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-14-10-23-17(11-22-14)12-24-21-19-9-16(6-7-20(19)25-13-26-21)15-4-3-5-18(8-15)27-2/h3-11,13H,12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine?
6-(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 6-(3-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 3233843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).