2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide

C15H21N5O — CID 64589896

IUPAC2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C15H21N5O/c1-4-7-20(9-14(21)19(2)3)15-12-8-11(16)5-6-13(12)17-10-18-15/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyRTEPFPOMVSYPDL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.52
Rot. Bonds5

About 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide

2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide (PubChem CID 64589896) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
PubChem CID64589896
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncnc2ccc(N)cc12
InChIInChI=1S/C15H21N5O/c1-4-7-20(9-14(21)19(2)3)15-12-8-11(16)5-6-13(12)17-10-18-15/h5-6,8,10H,4,7,9,16H2,1-3H3
InChIKeyRTEPFPOMVSYPDL-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide (CID 64589896) is 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ncnc2ccc(N)cc12.
What is the InChIKey of 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide?
The InChIKey is RTEPFPOMVSYPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-7-20(9-14(21)19(2)3)15-12-8-11(16)5-6-13(12)17-10-18-15/h5-6,8,10H,4,7,9,16H2,1-3H3.
What are the key properties of 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide?
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide has a molecular weight of 287.37 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 64589896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).