2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine

C11H10N6OS2 — CID 4786816

IUPAC2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2nnc(-c3cccs3)o2)n1
InChIInChI=1S/C11H10N6OS2/c12-7-4-8(13)15-11(14-7)20-5-9-16-17-10(18-9)6-2-1-3-19-6/h1-4H,5H2,(H4,12,13,14,15)
InChIKeyGRIBACHNYJGCQH-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.04
Rot. Bonds4

About 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine (PubChem CID 4786816) has the molecular formula C11H10N6OS2 and a molecular weight of 306.38 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
PubChem CID4786816
Molecular FormulaC11H10N6OS2
Molecular Weight306.38 g/mol
Exact Mass306.04
IUPAC Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine
SMILESNc1cc(N)nc(SCc2nnc(-c3cccs3)o2)n1
InChIInChI=1S/C11H10N6OS2/c12-7-4-8(13)15-11(14-7)20-5-9-16-17-10(18-9)6-2-1-3-19-6/h1-4H,5H2,(H4,12,13,14,15)
InChIKeyGRIBACHNYJGCQH-UHFFFAOYSA-N
XLogP2.04
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

3-fluoro-4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43303654
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]pyrimidine-4,6-diamine
CID 17437492
1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-2-amine
CID 66218968
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]benzoic acid
CID 43092573
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propan-1-ol
CID 66126795
4-propyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135794492
6-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidin-4-amine
CID 17470671
2-phenyl-5-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 7857109
2-amino-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]propanoic acid
CID 43385486
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine (CID 4786816) is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine is Nc1cc(N)nc(SCc2nnc(-c3cccs3)o2)n1.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
The InChIKey is GRIBACHNYJGCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6OS2/c12-7-4-8(13)15-11(14-7)20-5-9-16-17-10(18-9)6-2-1-3-19-6/h1-4H,5H2,(H4,12,13,14,15).
What are the key properties of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine?
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine has a molecular weight of 306.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 4786816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).