3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide

C11H13N5O2 — CID 114152808

IUPAC3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N5O2/c12-6-1-2-8-7(3-6)11(16-5-15-8)14-4-9(17)10(13)18/h1-3,5,9,17H,4,12H2,(H2,13,18)(H,14,15,16)
InChIKeySGVZZJVHMMHHKX-UHFFFAOYSA-N
MW247.26 g/mol
LogP-0.53
Rot. Bonds4

About 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide

3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide (PubChem CID 114152808) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
PubChem CID114152808
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1ncnc2ccc(N)cc12
InChIInChI=1S/C11H13N5O2/c12-6-1-2-8-7(3-6)11(16-5-15-8)14-4-9(17)10(13)18/h1-3,5,9,17H,4,12H2,(H2,13,18)(H,14,15,16)
InChIKeySGVZZJVHMMHHKX-UHFFFAOYSA-N
XLogP-0.53
TPSA127.15 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-aminoquinazolin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107150871
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483
3-[(6-aminoquinazolin-4-yl)amino]propan-1-ol
CID 64587683
3-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179516
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
ethane;4-N-methylquinazoline-4,6-diamine
CID 91218753
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179504
1-(4-aminophenyl)-2-(quinazolin-4-ylamino)ethanol
CID 60894016
2-[(6-aminoquinazolin-4-yl)amino]-2-ethylpropane-1,3-diol
CID 107864539
4-N-(4-methylpentan-2-yl)quinazoline-4,6-diamine
CID 64588281
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275127

Frequently Asked Questions

What is the IUPAC name of 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide (CID 114152808) is 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1ncnc2ccc(N)cc12.
What is the InChIKey of 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide?
The InChIKey is SGVZZJVHMMHHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-6-1-2-8-7(3-6)11(16-5-15-8)14-4-9(17)10(13)18/h1-3,5,9,17H,4,12H2,(H2,13,18)(H,14,15,16).
What are the key properties of 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide?
3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide has a molecular weight of 247.26 g/mol, XLogP of -0.53, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-aminoquinazolin-4-yl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 114152808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).