6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C15H19N7OS — CID 714281

IUPAC6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCc1cc(C)nc2sc(-c3nc(N)nc(N(C)C)n3)c(N)c12
InChIInChI=1S/C15H19N7OS/c1-7-5-8(6-23-4)9-10(16)11(24-13(9)18-7)12-19-14(17)21-15(20-12)22(2)3/h5H,6,16H2,1-4H3,(H2,17,19,20,21)
InChIKeyKWWLCOHVBSVKTN-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.83
Rot. Bonds4

About 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 714281) has the molecular formula C15H19N7OS and a molecular weight of 345.43 g/mol. Its IUPAC name is 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID714281
Molecular FormulaC15H19N7OS
Molecular Weight345.43 g/mol
Exact Mass345.14
IUPAC Name6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCOCc1cc(C)nc2sc(-c3nc(N)nc(N(C)C)n3)c(N)c12
InChIInChI=1S/C15H19N7OS/c1-7-5-8(6-23-4)9-10(16)11(24-13(9)18-7)12-19-14(17)21-15(20-12)22(2)3/h5H,6,16H2,1-4H3,(H2,17,19,20,21)
InChIKeyKWWLCOHVBSVKTN-UHFFFAOYSA-N
XLogP1.83
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 714281) is 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is COCc1cc(C)nc2sc(-c3nc(N)nc(N(C)C)n3)c(N)c12.
What is the InChIKey of 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KWWLCOHVBSVKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7OS/c1-7-5-8(6-23-4)9-10(16)11(24-13(9)18-7)12-19-14(17)21-15(20-12)22(2)3/h5H,6,16H2,1-4H3,(H2,17,19,20,21).
What are the key properties of 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 345.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 714281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).