2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

C22H33N5 — CID 45202136

About 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45202136) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

• Compound Name: 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
• PubChem CID: 45202136
• Molecular Formula: C22H33N5
• Molecular Weight: 367.54 g/mol
• Exact Mass: 367.27
• IUPAC Name: 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
• SMILES: Cc1nc(C)c(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc1C
• InChI: InChI=1S/C22H33N5/c1-13-14(2)26-19(15(3)25-13)12-23-17-9-22(7,8)10-18-16(17)11-24-20(27-18)21(4,5)6/h11,17,23H,9-10,12H2,1-8H3
• InChIKey: LNRSXUSGKZHTLG-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.54
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The IUPAC name of 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 45202136) is 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The canonical SMILES for 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is Cc1nc(C)c(CNC2CC(C)(C)Cc3nc(C(C)(C)C)ncc32)nc1C.

What is the InChIKey of 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The InChIKey is LNRSXUSGKZHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-13-14(2)26-19(15(3)25-13)12-23-17-9-22(7,8)10-18-16(17)11-24-20(27-18)21(4,5)6/h11,17,23H,9-10,12H2,1-8H3.

What are the key properties of 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 367.54 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-7,7-dimethyl-N-[(3,5,6-trimethylpyrazin-2-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45202136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).