3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide

C13H17N5O — CID 106914151

IUPAC3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncnc2cc(N)ccc12
InChIInChI=1S/C13H17N5O/c1-15-12(19)5-6-18(2)13-10-4-3-9(14)7-11(10)16-8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19)
InChIKeyPEWHBULBYZACBL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.78
Rot. Bonds4

About 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide

3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 106914151) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID106914151
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ncnc2cc(N)ccc12
InChIInChI=1S/C13H17N5O/c1-15-12(19)5-6-18(2)13-10-4-3-9(14)7-11(10)16-8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19)
InChIKeyPEWHBULBYZACBL-UHFFFAOYSA-N
XLogP0.78
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.78
H-Bond Donors ≤ 52
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 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide (CID 106914151) is 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ncnc2cc(N)ccc12.
What is the InChIKey of 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is PEWHBULBYZACBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-15-12(19)5-6-18(2)13-10-4-3-9(14)7-11(10)16-8-17-13/h3-4,7-8H,5-6,14H2,1-2H3,(H,15,19).
What are the key properties of 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide?
3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinazolin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106914151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).