methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate

C9H14N4O2S — CID 80885529

IUPACmethyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
SMILESCCNc1cc(SCC(=O)OC)nc(N)n1
InChIInChI=1S/C9H14N4O2S/c1-3-11-6-4-7(13-9(10)12-6)16-5-8(14)15-2/h4H,3,5H2,1-2H3,(H3,10,11,12,13)
InChIKeyHPBBHICMMWPZNP-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.76
Rot. Bonds5

About methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate

methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate (PubChem CID 80885529) has the molecular formula C9H14N4O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
PubChem CID80885529
Molecular FormulaC9H14N4O2S
Molecular Weight242.30 g/mol
Exact Mass242.08
IUPAC Namemethyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
SMILESCCNc1cc(SCC(=O)OC)nc(N)n1
InChIInChI=1S/C9H14N4O2S/c1-3-11-6-4-7(13-9(10)12-6)16-5-8(14)15-2/h4H,3,5H2,1-2H3,(H3,10,11,12,13)
InChIKeyHPBBHICMMWPZNP-UHFFFAOYSA-N
XLogP0.76
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(2,6-diaminopyrimidin-4-yl)sulfanylacetate
CID 80885528
methyl 2-(2-amino-6-methylpyrimidin-4-yl)sulfanylacetate
CID 742811
tert-butyl 2-(2-amino-6-hydrazinylpyrimidin-4-yl)sulfanylacetate
CID 116688414
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
tert-butyl 2-[2-ethyl-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate
CID 116688302
methyl 2-(6-amino-2-ethylpyrimidin-4-yl)sulfanylacetate
CID 80937418
methyl 2-(6-amino-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80886623
tert-butyl 2-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]sulfanylacetate
CID 116688344
6-butan-2-ylsulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80888448
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-4-N-ethylpyrimidine-2,4-diamine
CID 80892286
ethyl 2-(6-hydrazinyl-2-methylpyrimidin-4-yl)sulfanylacetate
CID 80923704
methyl 3-(2-amino-6-methylpyrimidin-4-yl)sulfanylpropanoate
CID 112724335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate?
The IUPAC name of methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate (CID 80885529) is methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate is CCNc1cc(SCC(=O)OC)nc(N)n1.
What is the InChIKey of methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate?
The InChIKey is HPBBHICMMWPZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S/c1-3-11-6-4-7(13-9(10)12-6)16-5-8(14)15-2/h4H,3,5H2,1-2H3,(H3,10,11,12,13).
What are the key properties of methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate?
methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate has a molecular weight of 242.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-amino-6-(ethylamino)pyrimidin-4-yl]sulfanylacetate is sourced from PubChem (CID 80885529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).