ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate

C13H21N3O2S — CID 80885711

IUPACethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
SMILESCCCc1c(NCC)ncnc1SCC(=O)OCC
InChIInChI=1S/C13H21N3O2S/c1-4-7-10-12(14-5-2)15-9-16-13(10)19-8-11(17)18-6-3/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyOHCIVJZEYXZGHL-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.52
Rot. Bonds8

About ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate

ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate (PubChem CID 80885711) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
PubChem CID80885711
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
SMILESCCCc1c(NCC)ncnc1SCC(=O)OCC
InChIInChI=1S/C13H21N3O2S/c1-4-7-10-12(14-5-2)15-9-16-13(10)19-8-11(17)18-6-3/h9H,4-8H2,1-3H3,(H,14,15,16)
InChIKeyOHCIVJZEYXZGHL-UHFFFAOYSA-N
XLogP2.52
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
CID 80923701
N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide
CID 114235128
6-ethoxy-N-ethyl-5-propylpyrimidin-4-amine
CID 80858401
ethyl 2-(6-iodothieno[3,2-d]pyrimidin-4-yl)sulfanylacetate
CID 56662168
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
N-ethyl-6-(1-methylimidazol-2-yl)sulfanyl-5-propylpyrimidin-4-amine
CID 80888105
6-(2,5-dimethylphenyl)sulfanyl-N-ethyl-5-propylpyrimidin-4-amine
CID 80864229
N-ethyl-6-(1H-imidazol-2-ylsulfanyl)-5-propylpyrimidin-4-amine
CID 107784869
4-N-ethyl-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80770650
ethyl 2-[5-[(4-aminophenyl)methyl]-2-methyl-6-propylpyrimidin-4-yl]sulfanylacetate
CID 154328196
6-[2-(dimethylamino)ethylsulfanyl]-N,5-dipropylpyrimidin-4-amine
CID 80895521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate (CID 80885711) is ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate is CCCc1c(NCC)ncnc1SCC(=O)OCC.
What is the InChIKey of ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate?
The InChIKey is OHCIVJZEYXZGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-7-10-12(14-5-2)15-9-16-13(10)19-8-11(17)18-6-3/h9H,4-8H2,1-3H3,(H,14,15,16).
What are the key properties of ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate?
ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate has a molecular weight of 283.40 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate is sourced from PubChem (CID 80885711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).