4-(2-aminoethyl)-7-methoxyquinazolin-2-amine

C11H14N4O — CID 105472495

IUPAC4-(2-aminoethyl)-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2c(CCN)nc(N)nc2c1
InChIInChI=1S/C11H14N4O/c1-16-7-2-3-8-9(4-5-12)14-11(13)15-10(8)6-7/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeyKWVPHPWLOZNKJB-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.72
Rot. Bonds3

About 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine

4-(2-aminoethyl)-7-methoxyquinazolin-2-amine (PubChem CID 105472495) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-methoxyquinazolin-2-amine
PubChem CID105472495
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-(2-aminoethyl)-7-methoxyquinazolin-2-amine
SMILESCOc1ccc2c(CCN)nc(N)nc2c1
InChIInChI=1S/C11H14N4O/c1-16-7-2-3-8-9(4-5-12)14-11(13)15-10(8)6-7/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15)
InChIKeyKWVPHPWLOZNKJB-UHFFFAOYSA-N
XLogP0.72
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine?
The IUPAC name of 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine (CID 105472495) is 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine.
What is the SMILES notation for 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine?
The canonical SMILES for 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine is COc1ccc2c(CCN)nc(N)nc2c1.
What is the InChIKey of 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine?
The InChIKey is KWVPHPWLOZNKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-7-2-3-8-9(4-5-12)14-11(13)15-10(8)6-7/h2-3,6H,4-5,12H2,1H3,(H2,13,14,15).
What are the key properties of 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine?
4-(2-aminoethyl)-7-methoxyquinazolin-2-amine has a molecular weight of 218.26 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-methoxyquinazolin-2-amine is sourced from PubChem (CID 105472495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).