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

C11H12N6OS — CID 106411915

IUPAC2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ncon2)c2ccsc2n1
InChIInChI=1S/C11H12N6OS/c1-2-12-11-15-9(7-3-4-19-10(7)16-11)13-5-8-14-6-18-17-8/h3-4,6H,2,5H2,1H3,(H2,12,13,15,16)
InChIKeyFWJAVODPKPQICO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.12
Rot. Bonds5

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

2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 106411915) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID106411915
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(NCc2ncon2)c2ccsc2n1
InChIInChI=1S/C11H12N6OS/c1-2-12-11-15-9(7-3-4-19-10(7)16-11)13-5-8-14-6-18-17-8/h3-4,6H,2,5H2,1H3,(H2,12,13,15,16)
InChIKeyFWJAVODPKPQICO-UHFFFAOYSA-N
XLogP2.12
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-ethyl-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-benzyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324221
2-N-ethyl-4-N-[(3-methylthiophen-2-yl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103329049
2-N-ethyl-4-N-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324453
4-N-butyl-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324250
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
2-N-ethyl-4-N-pentylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324261
4-N-[(3-chlorophenyl)methyl]-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327305
2-N-ethyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328858
2-N,6-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 106411875
3-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 103326824
6-N-ethyl-2-N,2-N-dimethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 106411963
2-N-propyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324519

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine (CID 106411915) is 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(NCc2ncon2)c2ccsc2n1.
What is the InChIKey of 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is FWJAVODPKPQICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-2-12-11-15-9(7-3-4-19-10(7)16-11)13-5-8-14-6-18-17-8/h3-4,6H,2,5H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine?
2-N-ethyl-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 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 106411915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).