2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

C17H20BrN3 — CID 62008684

IUPAC2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(Cc3ccc(Br)cc3)ncc2C(N)C1
InChIInChI=1S/C17H20BrN3/c1-17(2)8-14(19)13-10-20-16(21-15(13)9-17)7-11-3-5-12(18)6-4-11/h3-6,10,14H,7-9,19H2,1-2H3
InChIKeyVFYRSMLEVQXHDE-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.80
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine

2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 62008684) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
PubChem CID62008684
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine
SMILESCC1(C)Cc2nc(Cc3ccc(Br)cc3)ncc2C(N)C1
InChIInChI=1S/C17H20BrN3/c1-17(2)8-14(19)13-10-20-16(21-15(13)9-17)7-11-3-5-12(18)6-4-11/h3-6,10,14H,7-9,19H2,1-2H3
InChIKeyVFYRSMLEVQXHDE-UHFFFAOYSA-N
XLogP3.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromophenyl)methyl]-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-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine (CID 62008684) is 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is CC1(C)Cc2nc(Cc3ccc(Br)cc3)ncc2C(N)C1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
The InChIKey is VFYRSMLEVQXHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-17(2)8-14(19)13-10-20-16(21-15(13)9-17)7-11-3-5-12(18)6-4-11/h3-6,10,14H,7-9,19H2,1-2H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine?
2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 346.27 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-7,7-dimethyl-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 62008684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).