2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine

C17H29N3 — CID 45220491

IUPAC2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC(C)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C17H29N3/c1-11(2)19-13-8-17(6,7)9-14-12(13)10-18-15(20-14)16(3,4)5/h10-11,13,19H,8-9H2,1-7H3
InChIKeyHUPXIYRLGBLRAH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.79
Rot. Bonds2

About 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine

2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 45220491) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID45220491
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC(C)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21
InChIInChI=1S/C17H29N3/c1-11(2)19-13-8-17(6,7)9-14-12(13)10-18-15(20-14)16(3,4)5/h10-11,13,19H,8-9H2,1-7H3
InChIKeyHUPXIYRLGBLRAH-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine (CID 45220491) is 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine is CC(C)NC1CC(C)(C)Cc2nc(C(C)(C)C)ncc21.
What is the InChIKey of 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is HUPXIYRLGBLRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11(2)19-13-8-17(6,7)9-14-12(13)10-18-15(20-14)16(3,4)5/h10-11,13,19H,8-9H2,1-7H3.
What are the key properties of 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine?
2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 275.44 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7,7-dimethyl-N-propan-2-yl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 45220491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).