3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide

C13H17N5O — CID 106275127

IUPAC3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc2cc(N)ccc12)C(N)=O
InChIInChI=1S/C13H17N5O/c1-13(2,12(15)19)6-16-11-9-4-3-8(14)5-10(9)17-7-18-11/h3-5,7H,6,14H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyZTXZTYCHLOIKDC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.14
Rot. Bonds4

About 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide

3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide (PubChem CID 106275127) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
PubChem CID106275127
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide
SMILESCC(C)(CNc1ncnc2cc(N)ccc12)C(N)=O
InChIInChI=1S/C13H17N5O/c1-13(2,12(15)19)6-16-11-9-4-3-8(14)5-10(9)17-7-18-11/h3-5,7H,6,14H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyZTXZTYCHLOIKDC-UHFFFAOYSA-N
XLogP1.14
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(7-aminoquinazolin-4-yl)amino]methyl]pentan-3-ol
CID 65336318
4-N-(2-methoxy-2-methylpropyl)quinazoline-4,7-diamine
CID 104758827
2-[[(7-aminoquinazolin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106251267
tert-butyl N-[3-[(7-aminoquinazolin-4-yl)amino]propyl]carbamate
CID 104932831
4-N-(2,3,3-trimethylbutyl)quinazoline-4,7-diamine
CID 83142240
4-N-(2-methylsulfonylethyl)quinazoline-4,7-diamine
CID 65337012
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-2,2-dimethylpropanamide
CID 106275058
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinazoline-4,7-diamine
CID 79353456
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
4-N-(3-methoxypropyl)quinazoline-4,7-diamine
CID 65337295
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872

Frequently Asked Questions

What is the IUPAC name of 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide (CID 106275127) is 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide is CC(C)(CNc1ncnc2cc(N)ccc12)C(N)=O.
What is the InChIKey of 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide?
The InChIKey is ZTXZTYCHLOIKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-13(2,12(15)19)6-16-11-9-4-3-8(14)5-10(9)17-7-18-11/h3-5,7H,6,14H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide?
3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide has a molecular weight of 259.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-aminoquinazolin-4-yl)amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 106275127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).