2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

C14H16BrN3O — CID 62203999

IUPAC2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Br)o2)nc2c1CCCC2
InChIInChI=1S/C14H16BrN3O/c1-2-16-13-9-5-3-4-6-10(9)17-14(18-13)11-7-8-12(15)19-11/h7-8H,2-6H2,1H3,(H,16,17,18)
InChIKeyVXUBIMNKCOBOEW-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.81
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62203999) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62203999
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(-c2ccc(Br)o2)nc2c1CCCC2
InChIInChI=1S/C14H16BrN3O/c1-2-16-13-9-5-3-4-6-10(9)17-14(18-13)11-7-8-12(15)19-11/h7-8H,2-6H2,1H3,(H,16,17,18)
InChIKeyVXUBIMNKCOBOEW-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4,5-dibromofuran-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63481187
2-(4-bromo-3-methylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66479077
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001
N-ethyl-2-(5-methylthiophen-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63480179
N-ethyl-2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351510
2-(2,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480845
2-(3,5-difluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191823
N-ethyl-2-(5-methyl-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 81312553
N-ethyl-2-(3-methylimidazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 66116420
N-ethyl-2-(5-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485255
2-(5-bromo-2-methoxyphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62204247
N-ethyl-2-pyrazin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351468

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62203999) is 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(-c2ccc(Br)o2)nc2c1CCCC2.
What is the InChIKey of 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is VXUBIMNKCOBOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-16-13-9-5-3-4-6-10(9)17-14(18-13)11-7-8-12(15)19-11/h7-8H,2-6H2,1H3,(H,16,17,18).
What are the key properties of 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 322.21 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62203999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).