3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol

C11H14N4O — CID 64587683

IUPAC3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
SMILESNc1ccc2ncnc(NCCCO)c2c1
InChIInChI=1S/C11H14N4O/c12-8-2-3-10-9(6-8)11(15-7-14-10)13-4-1-5-16/h2-3,6-7,16H,1,4-5,12H2,(H,13,14,15)
InChIKeyDXWJAVFTZDCTRH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.01
Rot. Bonds4

About 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol

3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol (PubChem CID 64587683) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
PubChem CID64587683
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
SMILESNc1ccc2ncnc(NCCCO)c2c1
InChIInChI=1S/C11H14N4O/c12-8-2-3-10-9(6-8)11(15-7-14-10)13-4-1-5-16/h2-3,6-7,16H,1,4-5,12H2,(H,13,14,15)
InChIKeyDXWJAVFTZDCTRH-UHFFFAOYSA-N
XLogP1.01
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol (CID 64587683) is 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol is Nc1ccc2ncnc(NCCCO)c2c1.
What is the InChIKey of 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is DXWJAVFTZDCTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-8-2-3-10-9(6-8)11(15-7-14-10)13-4-1-5-16/h2-3,6-7,16H,1,4-5,12H2,(H,13,14,15).
What are the key properties of 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol?
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 218.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 64587683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).