2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide

C12H21N5O3 — CID 106241876

IUPAC2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCCCNc1ncnc(NCCOCC(N)=O)c1OC
InChIInChI=1S/C12H21N5O3/c1-3-4-14-11-10(19-2)12(17-8-16-11)15-5-6-20-7-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyVWTBVAHWNYKXIV-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.22
Rot. Bonds10

About 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide

2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide (PubChem CID 106241876) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
PubChem CID106241876
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
SMILESCCCNc1ncnc(NCCOCC(N)=O)c1OC
InChIInChI=1S/C12H21N5O3/c1-3-4-14-11-10(19-2)12(17-8-16-11)15-5-6-20-7-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17)
InChIKeyVWTBVAHWNYKXIV-UHFFFAOYSA-N
XLogP0.22
TPSA111.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(6-amino-5-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106241817
2-[2-[(5-amino-6-propoxypyrimidin-4-yl)amino]ethoxy]acetamide
CID 106234455
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
2-[2-[(6-ethylpyrimidin-4-yl)amino]ethoxy]acetamide
CID 106239747
2-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethoxy]acetamide
CID 113257850
2-[2-[[2-(propylamino)-3-pyridinyl]sulfonylamino]ethoxy]acetamide
CID 106240994
N-[3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]propyl]methanesulfonamide
CID 106332310
5-methoxy-6-N-propyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146882
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
2-[2-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241892
3-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180772

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The IUPAC name of 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide (CID 106241876) is 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide is CCCNc1ncnc(NCCOCC(N)=O)c1OC.
What is the InChIKey of 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
The InChIKey is VWTBVAHWNYKXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-3-4-14-11-10(19-2)12(17-8-16-11)15-5-6-20-7-9(13)18/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16,17).
What are the key properties of 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide?
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide has a molecular weight of 283.33 g/mol, XLogP of 0.22, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide is sourced from PubChem (CID 106241876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).