[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C23H35N5O2S — CID 95789060

IUPAC[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3CN3CCC[C@@H]3CO)c2c1C
InChIInChI=1S/C23H35N5O2S/c1-16-17(2)31-23-21(16)22(24-20(25-23)14-26-9-11-30-12-10-26)28-8-4-5-18(28)13-27-7-3-6-19(27)15-29/h18-19,29H,3-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyWKNMYJDJDRXGTD-RBUKOAKNSA-N
MW445.63 g/mol
LogP2.57
Rot. Bonds6

About [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 95789060) has the molecular formula C23H35N5O2S and a molecular weight of 445.63 g/mol. Its IUPAC name is [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID95789060
Molecular FormulaC23H35N5O2S
Molecular Weight445.63 g/mol
Exact Mass445.25
IUPAC Name[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3CN3CCC[C@@H]3CO)c2c1C
InChIInChI=1S/C23H35N5O2S/c1-16-17(2)31-23-21(16)22(24-20(25-23)14-26-9-11-30-12-10-26)28-8-4-5-18(28)13-27-7-3-6-19(27)15-29/h18-19,29H,3-15H2,1-2H3/t18-,19+/m0/s1
InChIKeyWKNMYJDJDRXGTD-RBUKOAKNSA-N
XLogP2.57
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 95789060) is [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is Cc1sc2nc(CN3CCOCC3)nc(N3CCC[C@H]3CN3CCC[C@@H]3CO)c2c1C.
What is the InChIKey of [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is WKNMYJDJDRXGTD-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H35N5O2S/c1-16-17(2)31-23-21(16)22(24-20(25-23)14-26-9-11-30-12-10-26)28-8-4-5-18(28)13-27-7-3-6-19(27)15-29/h18-19,29H,3-15H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 445.63 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(2S)-1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 95789060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).