2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide

C13H17N5O — CID 80806470

IUPAC2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C13H17N5O/c1-8(2)18(7-11(14)19)12-9-5-3-4-6-10(9)16-13(15)17-12/h3-6,8H,7H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyVLSZNBQRDZNTGS-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.91
Rot. Bonds4

About 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide

2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide (PubChem CID 80806470) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide
PubChem CID80806470
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CC(N)=O)c1nc(N)nc2ccccc12
InChIInChI=1S/C13H17N5O/c1-8(2)18(7-11(14)19)12-9-5-3-4-6-10(9)16-13(15)17-12/h3-6,8H,7H2,1-2H3,(H2,14,19)(H2,15,16,17)
InChIKeyVLSZNBQRDZNTGS-UHFFFAOYSA-N
XLogP0.91
TPSA98.13 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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-4-N-propan-2-ylquinazoline-2,4-diamine
CID 80763753
4-N-methyl-4-N-(3-methylbutyl)quinazoline-2,4-diamine
CID 80796340
2-[(2-aminoquinazolin-4-yl)-methylamino]ethanol
CID 80773437
2-[(2,5-diphenyl-1H-imidazol-4-yl)-propan-2-ylamino]acetamide
CID 68897487
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
4-N-methyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80793845
2-[(2-hydrazinylquinazolin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80901636
4-N-cyclopropyl-4-N-methylquinazoline-2,4-diamine
CID 80775432
methyl 2-[propan-2-yl(quinazolin-4-yl)amino]acetate
CID 62006483
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80788749
N-ethyl-2-hydrazinyl-N-propan-2-ylquinazolin-4-amine
CID 80944435
2-amino-N,N-dimethylquinazoline-4-carboxamide
CID 25159575

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide (CID 80806470) is 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide is CC(C)N(CC(N)=O)c1nc(N)nc2ccccc12.
What is the InChIKey of 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide?
The InChIKey is VLSZNBQRDZNTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-8(2)18(7-11(14)19)12-9-5-3-4-6-10(9)16-13(15)17-12/h3-6,8H,7H2,1-2H3,(H2,14,19)(H2,15,16,17).
What are the key properties of 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide?
2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoquinazolin-4-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 80806470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).