6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

C16H19N3 — CID 104609487

IUPAC6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCC1CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C16H19N3/c1-2-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3,(H,17,18,19)
InChIKeyOQYLTBCDTNEWSP-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.74
Rot. Bonds3

About 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine

6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 104609487) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID104609487
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCC1CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C16H19N3/c1-2-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3,(H,17,18,19)
InChIKeyOQYLTBCDTNEWSP-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 104609487) is 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is CCC1CCc2nc(Nc3ccccc3)ncc2C1.
What is the InChIKey of 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is OQYLTBCDTNEWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-12-8-9-15-13(10-12)11-17-16(19-15)18-14-6-4-3-5-7-14/h3-7,11-12H,2,8-10H2,1H3,(H,17,18,19).
What are the key properties of 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 253.35 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 104609487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).