5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C20H16N6S — CID 17466914

IUPAC5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2)sc2ncnc(NCc3nnc4ccccn34)c12
InChIInChI=1S/C20H16N6S/c1-13-17-19(21-11-16-25-24-15-9-5-6-10-26(15)16)22-12-23-20(17)27-18(13)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyJWPGPLGFKUOUBA-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.32
Rot. Bonds4

About 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 17466914) has the molecular formula C20H16N6S and a molecular weight of 372.46 g/mol. Its IUPAC name is 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID17466914
Molecular FormulaC20H16N6S
Molecular Weight372.46 g/mol
Exact Mass372.12
IUPAC Name5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1c(-c2ccccc2)sc2ncnc(NCc3nnc4ccccn34)c12
InChIInChI=1S/C20H16N6S/c1-13-17-19(21-11-16-25-24-15-9-5-6-10-26(15)16)22-12-23-20(17)27-18(13)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23)
InChIKeyJWPGPLGFKUOUBA-UHFFFAOYSA-N
XLogP4.32
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 17466914) is 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1c(-c2ccccc2)sc2ncnc(NCc3nnc4ccccn34)c12.
What is the InChIKey of 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JWPGPLGFKUOUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6S/c1-13-17-19(21-11-16-25-24-15-9-5-6-10-26(15)16)22-12-23-20(17)27-18(13)14-7-3-2-4-8-14/h2-10,12H,11H2,1H3,(H,21,22,23).
What are the key properties of 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 372.46 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-phenyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 17466914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).