N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

C19H17N5O2S2 — CID 67120151

IUPACN-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
InChIInChI=1S/C19H17N5O2S2/c1-12-6-7-15(9-20-12)22-19-21-10-17-18(23-19)16(11-27-17)13-4-3-5-14(8-13)24-28(2,25)26/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyVIHMHSQDSVUSON-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.18
Rot. Bonds5

About N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide

N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (PubChem CID 67120151) has the molecular formula C19H17N5O2S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
PubChem CID67120151
Molecular FormulaC19H17N5O2S2
Molecular Weight411.51 g/mol
Exact Mass411.08
IUPAC NameN-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
SMILESCc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1
InChIInChI=1S/C19H17N5O2S2/c1-12-6-7-15(9-20-12)22-19-21-10-17-18(23-19)16(11-27-17)13-4-3-5-14(8-13)24-28(2,25)26/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyVIHMHSQDSVUSON-UHFFFAOYSA-N
XLogP4.18
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide (CID 67120151) is N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is Cc1ccc(Nc2ncc3scc(-c4cccc(NS(C)(=O)=O)c4)c3n2)cn1.
What is the InChIKey of N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
The InChIKey is VIHMHSQDSVUSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2S2/c1-12-6-7-15(9-20-12)22-19-21-10-17-18(23-19)16(11-27-17)13-4-3-5-14(8-13)24-28(2,25)26/h3-11,24H,1-2H3,(H,21,22,23).
What are the key properties of N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide?
N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(6-methyl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 67120151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).