2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C12H12ClN5OS — CID 106405530

IUPAC2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCc3ncno3)nc(Cl)nc2s1
InChIInChI=1S/C12H12ClN5OS/c1-2-7-5-8-10(17-12(13)18-11(8)20-7)14-4-3-9-15-6-16-19-9/h5-6H,2-4H2,1H3,(H,14,17,18)
InChIKeyIDJBXAKESPIQNQ-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106405530) has the molecular formula C12H12ClN5OS and a molecular weight of 309.78 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID106405530
Molecular FormulaC12H12ClN5OS
Molecular Weight309.78 g/mol
Exact Mass309.05
IUPAC Name2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCCc3ncno3)nc(Cl)nc2s1
InChIInChI=1S/C12H12ClN5OS/c1-2-7-5-8-10(17-12(13)18-11(8)20-7)14-4-3-9-15-6-16-19-9/h5-6H,2-4H2,1H3,(H,14,17,18)
InChIKeyIDJBXAKESPIQNQ-UHFFFAOYSA-N
XLogP2.94
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-chloro-6-ethyl-N-[2-(4-fluorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066429
4-[2-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 82066376
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 93214217
2-N,6-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidine-2,4-diamine
CID 106412071
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-[2-(oxolan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321269
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321311
2-chloro-6-ethyl-N-[2-(3-methylbutoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321341
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-(2,2,3,3-tetrafluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 106293411

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 106405530) is 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCCc3ncno3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IDJBXAKESPIQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5OS/c1-2-7-5-8-10(17-12(13)18-11(8)20-7)14-4-3-9-15-6-16-19-9/h5-6H,2-4H2,1H3,(H,14,17,18).
What are the key properties of 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106405530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).