2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide

C16H26N4O — CID 72868715

IUPAC2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14/h9,11H,6-8,17H2,1-5H3,(H,19,21)
InChIKeyFHUQTVLDWYFSHJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.86
Rot. Bonds2

About 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide

2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide (PubChem CID 72868715) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
PubChem CID72868715
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide
SMILESCC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1
InChIInChI=1S/C16H26N4O/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14/h9,11H,6-8,17H2,1-5H3,(H,19,21)
InChIKeyFHUQTVLDWYFSHJ-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The IUPAC name of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide (CID 72868715) is 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide is CC1(C)Cc2nc(C(C)(C)C)ncc2C(NC(=O)CN)C1.
What is the InChIKey of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
The InChIKey is FHUQTVLDWYFSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-15(2,3)14-18-9-10-11(19-13(21)8-17)6-16(4,5)7-12(10)20-14/h9,11H,6-8,17H2,1-5H3,(H,19,21).
What are the key properties of 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide?
2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-tert-butyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-yl)acetamide is sourced from PubChem (CID 72868715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).