N-tert-butyl-6-methylquinazolin-4-amine

C13H17N3 — CID 21002439

IUPACN-tert-butyl-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC(C)(C)C)c2c1
InChIInChI=1S/C13H17N3/c1-9-5-6-11-10(7-9)12(15-8-14-11)16-13(2,3)4/h5-8H,1-4H3,(H,14,15,16)
InChIKeyOUJYVFNIHYZQIS-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.15
Rot. Bonds1

About N-tert-butyl-6-methylquinazolin-4-amine

N-tert-butyl-6-methylquinazolin-4-amine (PubChem CID 21002439) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-tert-butyl-6-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-methylquinazolin-4-amine
PubChem CID21002439
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-tert-butyl-6-methylquinazolin-4-amine
SMILESCc1ccc2ncnc(NC(C)(C)C)c2c1
InChIInChI=1S/C13H17N3/c1-9-5-6-11-10(7-9)12(15-8-14-11)16-13(2,3)4/h5-8H,1-4H3,(H,14,15,16)
InChIKeyOUJYVFNIHYZQIS-UHFFFAOYSA-N
XLogP3.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methylquinazolin-4-amine?
The IUPAC name of N-tert-butyl-6-methylquinazolin-4-amine (CID 21002439) is N-tert-butyl-6-methylquinazolin-4-amine.
What is the SMILES notation for N-tert-butyl-6-methylquinazolin-4-amine?
The canonical SMILES for N-tert-butyl-6-methylquinazolin-4-amine is Cc1ccc2ncnc(NC(C)(C)C)c2c1.
What is the InChIKey of N-tert-butyl-6-methylquinazolin-4-amine?
The InChIKey is OUJYVFNIHYZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-6-11-10(7-9)12(15-8-14-11)16-13(2,3)4/h5-8H,1-4H3,(H,14,15,16).
What are the key properties of N-tert-butyl-6-methylquinazolin-4-amine?
N-tert-butyl-6-methylquinazolin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methylquinazolin-4-amine is sourced from PubChem (CID 21002439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).