N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine

C23H23N5O3S2 — CID 59829270

IUPACN-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3cc(-c4cccc(S(C)(=O)=O)c4)sc3n2)cn1
InChIInChI=1S/C23H23N5O3S2/c1-24-20-7-6-16(14-25-20)21-26-22(28-8-10-31-11-9-28)18-13-19(32-23(18)27-21)15-4-3-5-17(12-15)33(2,29)30/h3-7,12-14H,8-11H2,1-2H3,(H,24,25)
InChIKeyNTUTXHHNKUXBNY-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.70
Rot. Bonds5

About N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine

N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 59829270) has the molecular formula C23H23N5O3S2 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID59829270
Molecular FormulaC23H23N5O3S2
Molecular Weight481.60 g/mol
Exact Mass481.12
IUPAC NameN-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3cc(-c4cccc(S(C)(=O)=O)c4)sc3n2)cn1
InChIInChI=1S/C23H23N5O3S2/c1-24-20-7-6-16(14-25-20)21-26-22(28-8-10-31-11-9-28)18-13-19(32-23(18)27-21)15-4-3-5-17(12-15)33(2,29)30/h3-7,12-14H,8-11H2,1-2H3,(H,24,25)
InChIKeyNTUTXHHNKUXBNY-UHFFFAOYSA-N
XLogP3.70
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine (CID 59829270) is N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine is CNc1ccc(-c2nc(N3CCOCC3)c3cc(-c4cccc(S(C)(=O)=O)c4)sc3n2)cn1.
What is the InChIKey of N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is NTUTXHHNKUXBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S2/c1-24-20-7-6-16(14-25-20)21-26-22(28-8-10-31-11-9-28)18-13-19(32-23(18)27-21)15-4-3-5-17(12-15)33(2,29)30/h3-7,12-14H,8-11H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine?
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 481.60 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 59829270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).