2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide

C17H17N5O — CID 89070276

IUPAC2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc2nc(Nc3cc(N)cc(CC(N)=O)c3)ncc2c1
InChIInChI=1S/C17H17N5O/c1-10-2-3-15-12(4-10)9-20-17(22-15)21-14-6-11(7-16(19)23)5-13(18)8-14/h2-6,8-9H,7,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyIYVAZUPYOHUZCU-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.29
Rot. Bonds4

About 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide

2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide (PubChem CID 89070276) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide
PubChem CID89070276
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide
SMILESCc1ccc2nc(Nc3cc(N)cc(CC(N)=O)c3)ncc2c1
InChIInChI=1S/C17H17N5O/c1-10-2-3-15-12(4-10)9-20-17(22-15)21-14-6-11(7-16(19)23)5-13(18)8-14/h2-6,8-9H,7,18H2,1H3,(H2,19,23)(H,20,21,22)
InChIKeyIYVAZUPYOHUZCU-UHFFFAOYSA-N
XLogP2.29
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.29
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

Bms-833923
CID 57662985
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 15991573
Sgi-1027
CID 24858111
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16086088
Aminoquinazoline amide, 35
CID 25138148
N-{4-Methyl-3-[(3-pyrimidin-4-ylpyridin-2-YL)amino]phenyl}-3-(trifluoromethyl)benzamide
CID 16040281
3-(2-aminoquinazolin-6-yl)-1-(3,3-dimethylindolin-6-yl)-4-methylpyridin-2(1H)-one
CID 24812717
3-(2-aminoquinazolin-6-yl)-4-methyl-1-(3-(trifluoromethyl)phenyl)pyridin-2(1H)-one
CID 24812719
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
Cgp-53716
CID 9864718
KF 15232
CID 130152
N-(4-m-Tolylamino-quinazolin-7-yl)-acrylamide
CID 10494722

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide (CID 89070276) is 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide is Cc1ccc2nc(Nc3cc(N)cc(CC(N)=O)c3)ncc2c1.
What is the InChIKey of 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide?
The InChIKey is IYVAZUPYOHUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10-2-3-15-12(4-10)9-20-17(22-15)21-14-6-11(7-16(19)23)5-13(18)8-14/h2-6,8-9H,7,18H2,1H3,(H2,19,23)(H,20,21,22).
What are the key properties of 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide?
2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide has a molecular weight of 307.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-[(6-methylquinazolin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 89070276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).