ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate

C10H16N4O2 — CID 80789883

IUPACethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)nc(N)c1C
InChIInChI=1S/C10H16N4O2/c1-4-16-8(15)5-12-10-6(2)9(11)13-7(3)14-10/h4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyLZFBQHRLVITTNL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.65
Rot. Bonds4

About ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate

ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate (PubChem CID 80789883) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
PubChem CID80789883
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C)nc(N)c1C
InChIInChI=1S/C10H16N4O2/c1-4-16-8(15)5-12-10-6(2)9(11)13-7(3)14-10/h4-5H2,1-3H3,(H3,11,12,13,14)
InChIKeyLZFBQHRLVITTNL-UHFFFAOYSA-N
XLogP0.65
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 113406499
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793358
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113405791
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
CID 80993875
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
methyl 2-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80981003
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
5-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]pentanamide
CID 106241669
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-2-methylpropane-1,2-diol
CID 80851174
3-[2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117234
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate (CID 80789883) is ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc(C)nc(N)c1C.
What is the InChIKey of ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate?
The InChIKey is LZFBQHRLVITTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-8(15)5-12-10-6(2)9(11)13-7(3)14-10/h4-5H2,1-3H3,(H3,11,12,13,14).
What are the key properties of ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate?
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate has a molecular weight of 224.26 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80789883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).