6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C12H14N6S — CID 133332090

IUPAC6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ncnn3C)ncnc2s1
InChIInChI=1S/C12H14N6S/c1-3-8-4-9-11(15-6-16-12(9)19-8)13-5-10-14-7-17-18(10)2/h4,6-7H,3,5H2,1-2H3,(H,13,15,16)
InChIKeyXECSBIGZDYQDJA-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.99
Rot. Bonds4

About 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133332090) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133332090
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ncnn3C)ncnc2s1
InChIInChI=1S/C12H14N6S/c1-3-8-4-9-11(15-6-16-12(9)19-8)13-5-10-14-7-17-18(10)2/h4,6-7H,3,5H2,1-2H3,(H,13,15,16)
InChIKeyXECSBIGZDYQDJA-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 133332090) is 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ncnn3C)ncnc2s1.
What is the InChIKey of 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is XECSBIGZDYQDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-3-8-4-9-11(15-6-16-12(9)19-8)13-5-10-14-7-17-18(10)2/h4,6-7H,3,5H2,1-2H3,(H,13,15,16).
What are the key properties of 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 274.35 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133332090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).