3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide

C15H18N4O2 — CID 61092948

IUPAC3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCOc2cccc(N)c2)n1
InChIInChI=1S/C15H18N4O2/c1-10-8-11(2)18-15(17-10)19-14(20)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyBXJTUFRUHOSXNJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.08
Rot. Bonds5

About 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide

3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide (PubChem CID 61092948) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
PubChem CID61092948
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide
SMILESCc1cc(C)nc(NC(=O)CCOc2cccc(N)c2)n1
InChIInChI=1S/C15H18N4O2/c1-10-8-11(2)18-15(17-10)19-14(20)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyBXJTUFRUHOSXNJ-UHFFFAOYSA-N
XLogP2.08
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 61464165
3-(3-aminophenoxy)-N-(5-methyl-3-pyridinyl)propanamide
CID 107584422
3-(3-aminophenoxy)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62322289
3-(3-aminophenoxy)-N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
CID 65486033
3-(3-aminophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 61090468
3-(3-aminophenoxy)-N-thiophen-3-ylpropanamide
CID 66351848
3-(3-aminophenoxy)-N-(3-ethylpentan-3-yl)propanamide
CID 65039442
3-(3-aminophenoxy)-N-(2,3-dichlorophenyl)propanamide
CID 61095310
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 61282739
N-(3-aminophenyl)-3-(3-fluorophenoxy)propanamide
CID 16792632
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide (CID 61092948) is 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide is Cc1cc(C)nc(NC(=O)CCOc2cccc(N)c2)n1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide?
The InChIKey is BXJTUFRUHOSXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-11(2)18-15(17-10)19-14(20)6-7-21-13-5-3-4-12(16)9-13/h3-5,8-9H,6-7,16H2,1-2H3,(H,17,18,19,20).
What are the key properties of 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide?
3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(4,6-dimethylpyrimidin-2-yl)propanamide is sourced from PubChem (CID 61092948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).