2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C16H19N3 — CID 62009060

IUPAC2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(CCc3ccccc3)ncc21
InChIInChI=1S/C16H19N3/c17-14-7-4-8-15-13(14)11-18-16(19-15)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10,17H2
InChIKeyJDWBCCXPWSUFPQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.60
Rot. Bonds3

About 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62009060) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62009060
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESNC1CCCc2nc(CCc3ccccc3)ncc21
InChIInChI=1S/C16H19N3/c17-14-7-4-8-15-13(14)11-18-16(19-15)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10,17H2
InChIKeyJDWBCCXPWSUFPQ-UHFFFAOYSA-N
XLogP2.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62009060) is 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is NC1CCCc2nc(CCc3ccccc3)ncc21.
What is the InChIKey of 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is JDWBCCXPWSUFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-14-7-4-8-15-13(14)11-18-16(19-15)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10,17H2.
What are the key properties of 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 253.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62009060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).