2-phenyl-N-propan-2-ylquinazolin-4-amine

C17H17N3 — CID 719252

IUPAC2-phenyl-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H17N3/c1-12(2)18-17-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,20)
InChIKeyAJPDOANEIRXSQK-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.12
Rot. Bonds3

About 2-phenyl-N-propan-2-ylquinazolin-4-amine

2-phenyl-N-propan-2-ylquinazolin-4-amine (PubChem CID 719252) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-phenyl-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-phenyl-N-propan-2-ylquinazolin-4-amine
PubChem CID719252
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-phenyl-N-propan-2-ylquinazolin-4-amine
SMILESCC(C)Nc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H17N3/c1-12(2)18-17-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,20)
InChIKeyAJPDOANEIRXSQK-UHFFFAOYSA-N
XLogP4.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 2-phenyl-N-propan-2-ylquinazolin-4-amine (CID 719252) is 2-phenyl-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 2-phenyl-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 2-phenyl-N-propan-2-ylquinazolin-4-amine is CC(C)Nc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-phenyl-N-propan-2-ylquinazolin-4-amine?
The InChIKey is AJPDOANEIRXSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12(2)18-17-14-10-6-7-11-15(14)19-16(20-17)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,18,19,20).
What are the key properties of 2-phenyl-N-propan-2-ylquinazolin-4-amine?
2-phenyl-N-propan-2-ylquinazolin-4-amine has a molecular weight of 263.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 719252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).