4-(2-methylpropoxy)quinazolin-6-amine

C12H15N3O — CID 64590117

IUPAC4-(2-methylpropoxy)quinazolin-6-amine
SMILESCC(C)COc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N3O/c1-8(2)6-16-12-10-5-9(13)3-4-11(10)14-7-15-12/h3-5,7-8H,6,13H2,1-2H3
InChIKeyHEHGYZUBVQRXNS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.25
Rot. Bonds3

About 4-(2-methylpropoxy)quinazolin-6-amine

4-(2-methylpropoxy)quinazolin-6-amine (PubChem CID 64590117) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-methylpropoxy)quinazolin-6-amine.

Molecular Properties

Compound Name4-(2-methylpropoxy)quinazolin-6-amine
PubChem CID64590117
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(2-methylpropoxy)quinazolin-6-amine
SMILESCC(C)COc1ncnc2ccc(N)cc12
InChIInChI=1S/C12H15N3O/c1-8(2)6-16-12-10-5-9(13)3-4-11(10)14-7-15-12/h3-5,7-8H,6,13H2,1-2H3
InChIKeyHEHGYZUBVQRXNS-UHFFFAOYSA-N
XLogP2.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)quinazolin-6-amine?
The IUPAC name of 4-(2-methylpropoxy)quinazolin-6-amine (CID 64590117) is 4-(2-methylpropoxy)quinazolin-6-amine.
What is the SMILES notation for 4-(2-methylpropoxy)quinazolin-6-amine?
The canonical SMILES for 4-(2-methylpropoxy)quinazolin-6-amine is CC(C)COc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-(2-methylpropoxy)quinazolin-6-amine?
The InChIKey is HEHGYZUBVQRXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)6-16-12-10-5-9(13)3-4-11(10)14-7-15-12/h3-5,7-8H,6,13H2,1-2H3.
What are the key properties of 4-(2-methylpropoxy)quinazolin-6-amine?
4-(2-methylpropoxy)quinazolin-6-amine has a molecular weight of 217.27 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)quinazolin-6-amine is sourced from PubChem (CID 64590117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).