ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate

C10H16N4O2 — CID 80789523

IUPACethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)ncc1C
InChIInChI=1S/C10H16N4O2/c1-4-16-8(15)6-12-9-7(2)5-13-10(11-3)14-9/h5H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyJQHFBIYORCRQST-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.80
Rot. Bonds5

About ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate

ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate (PubChem CID 80789523) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
PubChem CID80789523
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Nameethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate
SMILESCCOC(=O)CNc1nc(NC)ncc1C
InChIInChI=1S/C10H16N4O2/c1-4-16-8(15)6-12-9-7(2)5-13-10(11-3)14-9/h5H,4,6H2,1-3H3,(H2,11,12,13,14)
InChIKeyJQHFBIYORCRQST-UHFFFAOYSA-N
XLogP0.80
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]acetate
CID 103325279
2,2-dimethyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 115366501
1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80780223
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
ethyl 2-methyl-3-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 90923584
4-N-[(4-ethylcyclohexyl)methyl]-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80818986
2,4-dimethyl-1-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 80851320
N-tert-butyl-2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 115357443
ethyl 4-amino-2-(methylamino)pyrimidine-5-carboxylate
CID 116646909
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate (CID 80789523) is ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate is CCOC(=O)CNc1nc(NC)ncc1C.
What is the InChIKey of ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate?
The InChIKey is JQHFBIYORCRQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-16-8(15)6-12-9-7(2)5-13-10(11-3)14-9/h5H,4,6H2,1-3H3,(H2,11,12,13,14).
What are the key properties of ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate?
ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate has a molecular weight of 224.26 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80789523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).