1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

C16H24N4O3S2 — CID 134710748

IUPAC1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1c(C)sc2ncnc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c12
InChIInChI=1S/C16H24N4O3S2/c1-5-12-10(2)24-16-14(12)15(17-9-18-16)20-6-11(13(21)7-20)8-25(22,23)19(3)4/h9,11,13,21H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyGYSHVLJDPOUSAL-AAEUAGOBSA-N
MW384.53 g/mol
LogP1.25
Rot. Bonds5

About 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (PubChem CID 134710748) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.

Molecular Properties

Compound Name1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
PubChem CID134710748
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC Name1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
SMILESCCc1c(C)sc2ncnc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c12
InChIInChI=1S/C16H24N4O3S2/c1-5-12-10(2)24-16-14(12)15(17-9-18-16)20-6-11(13(21)7-20)8-25(22,23)19(3)4/h9,11,13,21H,5-8H2,1-4H3/t11-,13-/m0/s1
InChIKeyGYSHVLJDPOUSAL-AAEUAGOBSA-N
XLogP1.25
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide with MolForge

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Related Compounds

1-[(3R,4S)-1-(4,5-dimethylpyridazin-3-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155493905
1-[(3R,4S)-4-hydroxy-1-(2-methyl-5-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702868
1-[(3R,4R)-4-hydroxy-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134702084
(3S,4R)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135092467
1-[(3R,4S)-1-(5-fluoro-4-methoxypyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134711555
2-[1-cyclohexyl-4-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-yl]ethanol
CID 56917317
4-[4-[ethoxy(pyrrolidin-1-yl)methyl]piperidin-1-yl]-5-ethyl-6-methylthieno[2,3-d]pyrimidine
CID 174731771
[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol;[1-(6-propan-2-ylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 157472298
1-[(3R,4R)-1-(1,3-benzothiazol-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 135096527
(3S,4S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
CID 50955338
N-[[1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 131926299
1-[(3R,4S)-1-(1,3-benzoxazol-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134697273

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The IUPAC name of 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide (CID 134710748) is 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide.
What is the SMILES notation for 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The canonical SMILES for 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is CCc1c(C)sc2ncnc(N3C[C@@H](CS(=O)(=O)N(C)C)[C@@H](O)C3)c12.
What is the InChIKey of 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
The InChIKey is GYSHVLJDPOUSAL-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-5-12-10(2)24-16-14(12)15(17-9-18-16)20-6-11(13(21)7-20)8-25(22,23)19(3)4/h9,11,13,21H,5-8H2,1-4H3/t11-,13-/m0/s1.
What are the key properties of 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide?
1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide has a molecular weight of 384.53 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-(5-ethyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide is sourced from PubChem (CID 134710748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).