N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide

C19H23N5O3S2 — CID 59829243

IUPACN-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCOCC3)c3cc(CN(C)S(C)(=O)=O)sc3n2)cn1
InChIInChI=1S/C19H23N5O3S2/c1-13-4-5-14(11-20-13)17-21-18(24-6-8-27-9-7-24)16-10-15(28-19(16)22-17)12-23(2)29(3,25)26/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyHALVYLOSLVVIRW-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.29
Rot. Bonds5

About N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide

N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide (PubChem CID 59829243) has the molecular formula C19H23N5O3S2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide
PubChem CID59829243
Molecular FormulaC19H23N5O3S2
Molecular Weight433.56 g/mol
Exact Mass433.12
IUPAC NameN-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide
SMILESCc1ccc(-c2nc(N3CCOCC3)c3cc(CN(C)S(C)(=O)=O)sc3n2)cn1
InChIInChI=1S/C19H23N5O3S2/c1-13-4-5-14(11-20-13)17-21-18(24-6-8-27-9-7-24)16-10-15(28-19(16)22-17)12-23(2)29(3,25)26/h4-5,10-11H,6-9,12H2,1-3H3
InChIKeyHALVYLOSLVVIRW-UHFFFAOYSA-N
XLogP2.29
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-(2-methylpyrimidin-5-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24948735
N-[[2-(2-amino-4-methylpyrimidin-5-yl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]-N-methylacetamide
CID 118914305
N-[[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylethanesulfonamide
CID 59829265
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829270
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24995428
1-[4-[[2-(6-amino-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxyethanone
CID 58234093
N-methyl-N-[(4-morpholin-4-yl-2-pyrimidin-5-ylthieno[2,3-d]pyrimidin-6-yl)methyl]piperidine-4-carboxamide
CID 69044924
5-[6-[(4-cyclopropylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 24948546
(2S)-2-hydroxy-3-[4-[[2-[6-(methylamino)-3-pyridinyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanal
CID 24946878
[3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]phenyl]methanol
CID 59688537
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide (CID 59829243) is N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide is Cc1ccc(-c2nc(N3CCOCC3)c3cc(CN(C)S(C)(=O)=O)sc3n2)cn1.
What is the InChIKey of N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide?
The InChIKey is HALVYLOSLVVIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S2/c1-13-4-5-14(11-20-13)17-21-18(24-6-8-27-9-7-24)16-10-15(28-19(16)22-17)12-23(2)29(3,25)26/h4-5,10-11H,6-9,12H2,1-3H3.
What are the key properties of N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide?
N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide has a molecular weight of 433.56 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(6-methyl-3-pyridinyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl]methyl]methanesulfonamide is sourced from PubChem (CID 59829243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).