4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile

C13H9N5S — CID 116647000

IUPAC4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile
SMILESCc1nc(-c2cnc3ccsc3c2)nc(N)c1C#N
InChIInChI=1S/C13H9N5S/c1-7-9(5-14)12(15)18-13(17-7)8-4-11-10(16-6-8)2-3-19-11/h2-4,6H,1H3,(H2,15,17,18)
InChIKeyYLKBUURKHKLCCN-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.52
Rot. Bonds1

About 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile

4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile (PubChem CID 116647000) has the molecular formula C13H9N5S and a molecular weight of 267.32 g/mol. Its IUPAC name is 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile
PubChem CID116647000
Molecular FormulaC13H9N5S
Molecular Weight267.32 g/mol
Exact Mass267.06
IUPAC Name4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile
SMILESCc1nc(-c2cnc3ccsc3c2)nc(N)c1C#N
InChIInChI=1S/C13H9N5S/c1-7-9(5-14)12(15)18-13(17-7)8-4-11-10(16-6-8)2-3-19-11/h2-4,6H,1H3,(H2,15,17,18)
InChIKeyYLKBUURKHKLCCN-UHFFFAOYSA-N
XLogP2.52
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile (CID 116647000) is 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile is Cc1nc(-c2cnc3ccsc3c2)nc(N)c1C#N.
What is the InChIKey of 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile?
The InChIKey is YLKBUURKHKLCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5S/c1-7-9(5-14)12(15)18-13(17-7)8-4-11-10(16-6-8)2-3-19-11/h2-4,6H,1H3,(H2,15,17,18).
What are the key properties of 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile?
4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile has a molecular weight of 267.32 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 116647000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).