2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide

C11H17N5O2S2 — CID 106343217

IUPAC2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1cc2c(NCCS(=O)(=O)NC)nc(N)nc2s1
InChIInChI=1S/C11H17N5O2S2/c1-3-7-6-8-9(14-4-5-20(17,18)13-2)15-11(12)16-10(8)19-7/h6,13H,3-5H2,1-2H3,(H3,12,14,15,16)
InChIKeyDLTFEPSPMVNLTD-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.80
Rot. Bonds6

About 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide

2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106343217) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106343217
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCc1cc2c(NCCS(=O)(=O)NC)nc(N)nc2s1
InChIInChI=1S/C11H17N5O2S2/c1-3-7-6-8-9(14-4-5-20(17,18)13-2)15-11(12)16-10(8)19-7/h6,13H,3-5H2,1-2H3,(H3,12,14,15,16)
InChIKeyDLTFEPSPMVNLTD-UHFFFAOYSA-N
XLogP0.80
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332303
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
6-ethyl-4-N-hexylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328125
6-ethyl-4-N-(5-methylhexyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329299
4-N-(2,2-difluoroethyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329333
4-N-(2,2-dimethylbutyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103466671
6-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106424249
1-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103324846
6-ethyl-4-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324414
4-N-cyclobutyl-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327219
6-ethyl-4-N-[(1-methylcyclopentyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327914
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324239

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 106343217) is 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide is CCc1cc2c(NCCS(=O)(=O)NC)nc(N)nc2s1.
What is the InChIKey of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is DLTFEPSPMVNLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-3-7-6-8-9(14-4-5-20(17,18)13-2)15-11(12)16-10(8)19-7/h6,13H,3-5H2,1-2H3,(H3,12,14,15,16).
What are the key properties of 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 315.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106343217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).