2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine

C15H15N3S — CID 65238624

IUPAC2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3cc(C)c(C)s3)nc(N)c2c1
InChIInChI=1S/C15H15N3S/c1-8-4-5-12-11(6-8)14(16)18-15(17-12)13-7-9(2)10(3)19-13/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyGOYKQGSQGRHCMJ-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.87
Rot. Bonds1

About 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine

2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine (PubChem CID 65238624) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine
PubChem CID65238624
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine
SMILESCc1ccc2nc(-c3cc(C)c(C)s3)nc(N)c2c1
InChIInChI=1S/C15H15N3S/c1-8-4-5-12-11(6-8)14(16)18-15(17-12)13-7-9(2)10(3)19-13/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyGOYKQGSQGRHCMJ-UHFFFAOYSA-N
XLogP3.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine?
The IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine (CID 65238624) is 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine.
What is the SMILES notation for 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine?
The canonical SMILES for 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine is Cc1ccc2nc(-c3cc(C)c(C)s3)nc(N)c2c1.
What is the InChIKey of 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine?
The InChIKey is GOYKQGSQGRHCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-8-4-5-12-11(6-8)14(16)18-15(17-12)13-7-9(2)10(3)19-13/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine?
2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine has a molecular weight of 269.37 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-2-yl)-6-methylquinazolin-4-amine is sourced from PubChem (CID 65238624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).