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

C14H21N3 — CID 64985551

IUPAC2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C3CCC3)ncc2C(N)C1
InChIInChI=1S/C14H21N3/c1-14(2)6-11(15)10-8-16-13(9-4-3-5-9)17-12(10)7-14/h8-9,11H,3-7,15H2,1-2H3
InChIKeyLLYPLMOSMQRXRP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.72
Rot. Bonds1

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

2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 64985551) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID64985551
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(C3CCC3)ncc2C(N)C1
InChIInChI=1S/C14H21N3/c1-14(2)6-11(15)10-8-16-13(9-4-3-5-9)17-12(10)7-14/h8-9,11H,3-7,15H2,1-2H3
InChIKeyLLYPLMOSMQRXRP-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 64985551) is 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(C3CCC3)ncc2C(N)C1.
What is the InChIKey of 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is LLYPLMOSMQRXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2)6-11(15)10-8-16-13(9-4-3-5-9)17-12(10)7-14/h8-9,11H,3-7,15H2,1-2H3.
What are the key properties of 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 64985551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).