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

C15H17N3 — CID 51371057

IUPAC6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C15H17N3/c1-11-7-8-14-12(9-11)10-16-15(18-14)17-13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,16,17,18)
InChIKeyPDJGNYNOFIDBSN-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.35
Rot. Bonds2

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

6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 51371057) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID51371057
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC1CCc2nc(Nc3ccccc3)ncc2C1
InChIInChI=1S/C15H17N3/c1-11-7-8-14-12(9-11)10-16-15(18-14)17-13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,16,17,18)
InChIKeyPDJGNYNOFIDBSN-UHFFFAOYSA-N
XLogP3.35
TPSA37.81 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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 51371057) is 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is CC1CCc2nc(Nc3ccccc3)ncc2C1.
What is the InChIKey of 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is PDJGNYNOFIDBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-7-8-14-12(9-11)10-16-15(18-14)17-13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3,(H,16,17,18).
What are the key properties of 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine?
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 239.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 51371057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).