2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C25H29N5O2S — CID 10288575

About 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 10288575) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

• Compound Name: 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
• PubChem CID: 10288575
• Molecular Formula: C25H29N5O2S
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.20
• IUPAC Name: 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
• SMILES: CCOc1cc2nc(CN(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
• InChI: InChI=1S/C25H29N5O2S/c1-6-31-22-12-19-20(13-23(22)32-7-2)28-24(14-30(4)5)29-25(19)27-18-10-8-9-17(11-18)21-15-33-16(3)26-21/h8-13,15H,6-7,14H2,1-5H3,(H,27,28,29)
• InChIKey: HMDJBCCQNPFTJV-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 72.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The IUPAC name of 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 10288575) is 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

What is the SMILES notation for 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The canonical SMILES for 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2nc(CN(C)C)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.

What is the InChIKey of 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

The InChIKey is HMDJBCCQNPFTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-6-31-22-12-19-20(13-23(22)32-7-2)28-24(14-30(4)5)29-25(19)27-18-10-8-9-17(11-18)21-15-33-16(3)26-21/h8-13,15H,6-7,14H2,1-5H3,(H,27,28,29).

What are the key properties of 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?

2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 463.61 g/mol, XLogP of 5.66, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(dimethylamino)methyl]-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10288575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).