2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C13H18N4S2 — CID 66290318

IUPAC2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSCC3CNC3)nc(N)c2c1C
InChIInChI=1S/C13H18N4S2/c1-7-8(2)19-13-11(7)12(14)16-10(17-13)6-18-5-9-3-15-4-9/h9,15H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyGMKUQVYGBFVIJM-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.34
Rot. Bonds4

About 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66290318) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66290318
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSCC3CNC3)nc(N)c2c1C
InChIInChI=1S/C13H18N4S2/c1-7-8(2)19-13-11(7)12(14)16-10(17-13)6-18-5-9-3-15-4-9/h9,15H,3-6H2,1-2H3,(H2,14,16,17)
InChIKeyGMKUQVYGBFVIJM-UHFFFAOYSA-N
XLogP2.34
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 66290130
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532
2-(butylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60701127
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
2-[[azetidin-3-yl(propyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66215279
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66290922
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002
5,6-dimethyl-2-[(4-methylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60703001
2-[[cyclobutylmethyl(ethyl)amino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107401404

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 66290318) is 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CSCC3CNC3)nc(N)c2c1C.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GMKUQVYGBFVIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-7-8(2)19-13-11(7)12(14)16-10(17-13)6-18-5-9-3-15-4-9/h9,15H,3-6H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 294.45 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66290318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).