N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C11H17N3O2S2 — CID 116633288

IUPACN-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)S(C)(=O)=O)nc2c1CSC2
InChIInChI=1S/C11H17N3O2S2/c1-4-12-11-8-5-17-6-9(8)13-10(14-11)7(2)18(3,15)16/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXRZYRJCJLYIRRD-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.76
Rot. Bonds4

About N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 116633288) has the molecular formula C11H17N3O2S2 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID116633288
Molecular FormulaC11H17N3O2S2
Molecular Weight287.41 g/mol
Exact Mass287.08
IUPAC NameN-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(C(C)S(C)(=O)=O)nc2c1CSC2
InChIInChI=1S/C11H17N3O2S2/c1-4-12-11-8-5-17-6-9(8)13-10(14-11)7(2)18(3,15)16/h7H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyXRZYRJCJLYIRRD-UHFFFAOYSA-N
XLogP1.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-ethoxy-2,2-dimethylpropyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 116730068
N-ethyl-5-iodo-2-(1-methylsulfonylethyl)-6-propylpyrimidin-4-amine
CID 116633231
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
(2-propan-2-yl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl)hydrazine
CID 83200451
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
N-ethyl-2-(1,3-thiazol-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 113373130
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116633187
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190672
[2-(1-methoxypropan-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 116503122
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 116633288) is N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(C(C)S(C)(=O)=O)nc2c1CSC2.
What is the InChIKey of N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is XRZYRJCJLYIRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S2/c1-4-12-11-8-5-17-6-9(8)13-10(14-11)7(2)18(3,15)16/h7H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-methylsulfonylethyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 116633288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).