N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide

C19H16FN5O2S2 — CID 141471202

IUPACN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2S2/c1-10-15-8-17(28-18(15)24-19(21)23-10)12-7-16(11(2)22-9-12)25-29(26,27)14-5-3-13(20)4-6-14/h3-9,25H,1-2H3,(H2,21,23,24)
InChIKeyHHBBCKXNKNEFRQ-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.89
Rot. Bonds4

About N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 141471202) has the molecular formula C19H16FN5O2S2 and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID141471202
Molecular FormulaC19H16FN5O2S2
Molecular Weight429.50 g/mol
Exact Mass429.07
IUPAC NameN-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H16FN5O2S2/c1-10-15-8-17(28-18(15)24-19(21)23-10)12-7-16(11(2)22-9-12)25-29(26,27)14-5-3-13(20)4-6-14/h3-9,25H,1-2H3,(H2,21,23,24)
InChIKeyHHBBCKXNKNEFRQ-UHFFFAOYSA-N
XLogP3.89
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 141471202) is N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide is Cc1ncc(-c2cc3c(C)nc(N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is HHBBCKXNKNEFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S2/c1-10-15-8-17(28-18(15)24-19(21)23-10)12-7-16(11(2)22-9-12)25-29(26,27)14-5-3-13(20)4-6-14/h3-9,25H,1-2H3,(H2,21,23,24).
What are the key properties of N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylthieno[2,3-d]pyrimidin-6-yl)-2-methyl-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 141471202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).