2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

C15H15N3S2 — CID 62188910

IUPAC2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCc2ccccc2)nc2sccc12
InChIInChI=1S/C15H15N3S2/c1-16-14-12-7-8-20-15(12)18-13(17-14)10-19-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyGMTQNFFLJHADHK-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.17
Rot. Bonds5

About 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine

2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 62188910) has the molecular formula C15H15N3S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID62188910
Molecular FormulaC15H15N3S2
Molecular Weight301.44 g/mol
Exact Mass301.07
IUPAC Name2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSCc2ccccc2)nc2sccc12
InChIInChI=1S/C15H15N3S2/c1-16-14-12-7-8-20-15(12)18-13(17-14)10-19-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17,18)
InChIKeyGMTQNFFLJHADHK-UHFFFAOYSA-N
XLogP4.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(3-methylbutylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 107756644
N-methyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63659080
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
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 62189283
2-[(4-fluorophenyl)sulfanylmethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62187683
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
2-butyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79412131
N-methyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
CID 104603999
N-methyl-2-(2-phenylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 63086412
2-[[ethyl(propyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182196

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 62188910) is 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSCc2ccccc2)nc2sccc12.
What is the InChIKey of 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GMTQNFFLJHADHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S2/c1-16-14-12-7-8-20-15(12)18-13(17-14)10-19-9-11-5-3-2-4-6-11/h2-8H,9-10H2,1H3,(H,16,17,18).
What are the key properties of 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfanylmethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62188910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).