2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide

C12H21N5O — CID 80821348

IUPAC2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-3-5-6-17(7-10(13)18)12-9(4-2)11(14)15-8-16-12/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16)
InChIKeyTWAVFRWLTIFERU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.71
Rot. Bonds7

About 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide

2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide (PubChem CID 80821348) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
PubChem CID80821348
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide
SMILESCCCCN(CC(N)=O)c1ncnc(N)c1CC
InChIInChI=1S/C12H21N5O/c1-3-5-6-17(7-10(13)18)12-9(4-2)11(14)15-8-16-12/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16)
InChIKeyTWAVFRWLTIFERU-UHFFFAOYSA-N
XLogP0.71
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
4-N-butyl-4-N,5-diethylpyrimidine-4,6-diamine
CID 80754266
2-[(6-amino-5-ethylpyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 80805333
2-[butyl-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]acetamide
CID 80902095
2-[butyl(pyrimidin-2-yl)amino]acetamide
CID 84590934
methyl 4-[(2-amino-2-oxoethyl)-butylamino]pyrimidine-5-carboxylate
CID 114214276
5-ethyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-4,6-diamine
CID 107871762
2-[(4-aminopyrimidin-2-yl)-butylamino]acetamide
CID 116796582
2-[(6-amino-5-ethylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80780164
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-butylamino]acetamide
CID 114995054
2-[(5-amino-1,3-thiazol-2-yl)-butylamino]acetamide
CID 102768070
2-[(3-amino-4-cyano-2-pyridinyl)-butylamino]acetamide
CID 82817305

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide?
The IUPAC name of 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide (CID 80821348) is 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide?
The canonical SMILES for 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide is CCCCN(CC(N)=O)c1ncnc(N)c1CC.
What is the InChIKey of 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide?
The InChIKey is TWAVFRWLTIFERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-5-6-17(7-10(13)18)12-9(4-2)11(14)15-8-16-12/h8H,3-7H2,1-2H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide?
2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-5-ethylpyrimidin-4-yl)-butylamino]acetamide is sourced from PubChem (CID 80821348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).