N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

C11H15N3O2S3 — CID 63659080

IUPACN-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCCS(C)(=O)=O)nc2sccc12
InChIInChI=1S/C11H15N3O2S3/c1-12-10-8-3-4-18-11(8)14-9(13-10)7-17-5-6-19(2,15)16/h3-4H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyADUBGUSKEZYZFW-UHFFFAOYSA-N
MW317.46 g/mol
LogP2.01
Rot. Bonds6

About N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine

N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 63659080) has the molecular formula C11H15N3O2S3 and a molecular weight of 317.46 g/mol. Its IUPAC name is N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID63659080
Molecular FormulaC11H15N3O2S3
Molecular Weight317.46 g/mol
Exact Mass317.03
IUPAC NameN-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCCS(C)(=O)=O)nc2sccc12
InChIInChI=1S/C11H15N3O2S3/c1-12-10-8-3-4-18-11(8)14-9(13-10)7-17-5-6-19(2,15)16/h3-4H,5-7H2,1-2H3,(H,12,13,14)
InChIKeyADUBGUSKEZYZFW-UHFFFAOYSA-N
XLogP2.01
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62188910
2-(tert-butylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 55045128
N-methyl-2-(pyrimidin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189107
[5,6-dimethyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63659781
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
methyl 3-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate
CID 55051000
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
2-(diethylaminomethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62178753
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 63659080) is N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSCCS(C)(=O)=O)nc2sccc12.
What is the InChIKey of N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ADUBGUSKEZYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S3/c1-12-10-8-3-4-18-11(8)14-9(13-10)7-17-5-6-19(2,15)16/h3-4H,5-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine?
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 317.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63659080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).