5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

C17H15N5OS2 — CID 17428582

IUPAC5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3nnc(-c4ccccc4)o3)nc(N)c2c1C
InChIInChI=1S/C17H15N5OS2/c1-9-10(2)25-16-13(9)14(18)19-12(20-16)8-24-17-22-21-15(23-17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,18,19,20)
InChIKeyNSTGYMLQMSRUFN-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.23
Rot. Bonds4

About 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17428582) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID17428582
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(CSc3nnc(-c4ccccc4)o3)nc(N)c2c1C
InChIInChI=1S/C17H15N5OS2/c1-9-10(2)25-16-13(9)14(18)19-12(20-16)8-24-17-22-21-15(23-17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,18,19,20)
InChIKeyNSTGYMLQMSRUFN-UHFFFAOYSA-N
XLogP4.23
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 27914032
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
5,6-dimethyl-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 40566612
5,6-dimethyl-2-[(1S)-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 2462386
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63381400
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
CID 43502532
2-[(2-fluorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025722
7-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 55458902
6-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 55374873
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 3617006

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine (CID 17428582) is 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(CSc3nnc(-c4ccccc4)o3)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NSTGYMLQMSRUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-9-10(2)25-16-13(9)14(18)19-12(20-16)8-24-17-22-21-15(23-17)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,18,19,20).
What are the key properties of 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.48 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17428582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).