2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C16H25N3 — CID 64985716

IUPAC2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3CCC3)ncc21
InChIInChI=1S/C16H25N3/c1-4-17-13-8-16(2,3)9-14-12(13)10-18-15(19-14)11-6-5-7-11/h10-11,13,17H,4-9H2,1-3H3
InChIKeyTZLSTPRRQYAHRM-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.37
Rot. Bonds3

About 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 64985716) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID64985716
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCCNC1CC(C)(C)Cc2nc(C3CCC3)ncc21
InChIInChI=1S/C16H25N3/c1-4-17-13-8-16(2,3)9-14-12(13)10-18-15(19-14)11-6-5-7-11/h10-11,13,17H,4-9H2,1-3H3
InChIKeyTZLSTPRRQYAHRM-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 64985716) is 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CCNC1CC(C)(C)Cc2nc(C3CCC3)ncc21.
What is the InChIKey of 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is TZLSTPRRQYAHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-17-13-8-16(2,3)9-14-12(13)10-18-15(19-14)11-6-5-7-11/h10-11,13,17H,4-9H2,1-3H3.
What are the key properties of 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 259.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-ethyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 64985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).