ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate

C13H22N4O2 — CID 80993875

IUPACethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
SMILESCCNc1nc(CC)nc(NCC(=O)OCC)c1C
InChIInChI=1S/C13H22N4O2/c1-5-10-16-12(14-6-2)9(4)13(17-10)15-8-11(18)19-7-3/h5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyJUOPIMFGBZHKIH-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.75
Rot. Bonds7

About ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate

ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate (PubChem CID 80993875) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
PubChem CID80993875
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nameethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate
SMILESCCNc1nc(CC)nc(NCC(=O)OCC)c1C
InChIInChI=1S/C13H22N4O2/c1-5-10-16-12(14-6-2)9(4)13(17-10)15-8-11(18)19-7-3/h5-8H2,1-4H3,(H2,14,15,16,17)
InChIKeyJUOPIMFGBZHKIH-UHFFFAOYSA-N
XLogP1.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-2-methylpropanamide
CID 80982855
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
4-N-(cyclopropylmethyl)-6-N,2-diethyl-5-methylpyrimidine-4,6-diamine
CID 80982187
2-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-N-methylacetamide
CID 80994288
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
6-chloro-N,2-diethyl-5-methylpyrimidin-4-amine
CID 79557526
6-N,2-diethyl-5-methyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80976798
ethyl 2-[(5-amino-2-methyl-1H-imidazol-4-yl)amino]acetate
CID 114995528

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate (CID 80993875) is ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate is CCNc1nc(CC)nc(NCC(=O)OCC)c1C.
What is the InChIKey of ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate?
The InChIKey is JUOPIMFGBZHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-5-10-16-12(14-6-2)9(4)13(17-10)15-8-11(18)19-7-3/h5-8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate?
ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate has a molecular weight of 266.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-ethyl-6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetate is sourced from PubChem (CID 80993875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).