2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

C11H12N6OS — CID 106411875

IUPAC2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ncon2)c2cc(C)sc2n1
InChIInChI=1S/C11H12N6OS/c1-6-3-7-9(13-4-8-14-5-18-17-8)15-11(12-2)16-10(7)19-6/h3,5H,4H2,1-2H3,(H2,12,13,15,16)
InChIKeyGOYBBJJXGVPXCK-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.04
Rot. Bonds4

About 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106411875) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106411875
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(NCc2ncon2)c2cc(C)sc2n1
InChIInChI=1S/C11H12N6OS/c1-6-3-7-9(13-4-8-14-5-18-17-8)15-11(12-2)16-10(7)19-6/h3,5H,4H2,1-2H3,(H2,12,13,15,16)
InChIKeyGOYBBJJXGVPXCK-UHFFFAOYSA-N
XLogP2.04
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328837
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
2-N-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)quinazoline-2,4-diamine
CID 106411968
2-N,6-dimethyl-4-N-[(4-methylthiophen-3-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329068
6-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411895
2-N,6-dimethyl-4-N-(pyridazin-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106898231
2-N,6-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106412071
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
4-N-(cyclopentylmethyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324744
2-methyl-3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propane-1,2-diol
CID 103328768
2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411915
[2-[[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentyl]methanol
CID 103328663

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 106411875) is 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(NCc2ncon2)c2cc(C)sc2n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is GOYBBJJXGVPXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-6-3-7-9(13-4-8-14-5-18-17-8)15-11(12-2)16-10(7)19-6/h3,5H,4H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 276.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106411875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).