4-propoxyquinazolin-6-amine

C11H13N3O — CID 64587338

IUPAC4-propoxyquinazolin-6-amine
SMILESCCCOc1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N3O/c1-2-5-15-11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyMMCYOCIHJGACCF-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.00
Rot. Bonds3

About 4-propoxyquinazolin-6-amine

4-propoxyquinazolin-6-amine (PubChem CID 64587338) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 4-propoxyquinazolin-6-amine.

Molecular Properties

Compound Name4-propoxyquinazolin-6-amine
PubChem CID64587338
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name4-propoxyquinazolin-6-amine
SMILESCCCOc1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N3O/c1-2-5-15-11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3
InChIKeyMMCYOCIHJGACCF-UHFFFAOYSA-N
XLogP2.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.00
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-propoxyquinazolin-6-amine?
The IUPAC name of 4-propoxyquinazolin-6-amine (CID 64587338) is 4-propoxyquinazolin-6-amine.
What is the SMILES notation for 4-propoxyquinazolin-6-amine?
The canonical SMILES for 4-propoxyquinazolin-6-amine is CCCOc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-propoxyquinazolin-6-amine?
The InChIKey is MMCYOCIHJGACCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-5-15-11-9-6-8(12)3-4-10(9)13-7-14-11/h3-4,6-7H,2,5,12H2,1H3.
What are the key properties of 4-propoxyquinazolin-6-amine?
4-propoxyquinazolin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxyquinazolin-6-amine is sourced from PubChem (CID 64587338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).