2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine

C15H17N3 — CID 115043187

IUPAC2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine
SMILESNC1CCCc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C15H17N3/c16-13-8-4-7-12-10-17-14(18-15(12)13)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9,16H2
InChIKeyTZNQFSGSCAMJHV-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.40
Rot. Bonds2

About 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine

2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine (PubChem CID 115043187) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine.

Molecular Properties

Compound Name2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine
PubChem CID115043187
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine
SMILESNC1CCCc2cnc(Cc3ccccc3)nc21
InChIInChI=1S/C15H17N3/c16-13-8-4-7-12-10-17-14(18-15(12)13)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9,16H2
InChIKeyTZNQFSGSCAMJHV-UHFFFAOYSA-N
XLogP2.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The IUPAC name of 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine (CID 115043187) is 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine.
What is the SMILES notation for 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The canonical SMILES for 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine is NC1CCCc2cnc(Cc3ccccc3)nc21.
What is the InChIKey of 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine?
The InChIKey is TZNQFSGSCAMJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c16-13-8-4-7-12-10-17-14(18-15(12)13)9-11-5-2-1-3-6-11/h1-3,5-6,10,13H,4,7-9,16H2.
What are the key properties of 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine?
2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine has a molecular weight of 239.32 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5,6,7,8-tetrahydroquinazolin-8-amine is sourced from PubChem (CID 115043187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).