2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol

C20H30N4O2S — CID 133496407

IUPAC2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CCCC3CCO)c2c1C
InChIInChI=1S/C20H30N4O2S/c1-13-14(2)27-20-18(13)19(21-16-5-3-4-15(16)6-9-25)22-17(23-20)12-24-7-10-26-11-8-24/h15-16,25H,3-12H2,1-2H3,(H,21,22,23)
InChIKeyOECFHQCSHHSRIK-UHFFFAOYSA-N
MW390.55 g/mol
LogP3.10
Rot. Bonds6

About 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol

2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol (PubChem CID 133496407) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
PubChem CID133496407
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol
SMILESCc1sc2nc(CN3CCOCC3)nc(NC3CCCC3CCO)c2c1C
InChIInChI=1S/C20H30N4O2S/c1-13-14(2)27-20-18(13)19(21-16-5-3-4-15(16)6-9-25)22-17(23-20)12-24-7-10-26-11-8-24/h15-16,25H,3-12H2,1-2H3,(H,21,22,23)
InChIKeyOECFHQCSHHSRIK-UHFFFAOYSA-N
XLogP3.10
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The IUPAC name of 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol (CID 133496407) is 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol.
What is the SMILES notation for 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The canonical SMILES for 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol is Cc1sc2nc(CN3CCOCC3)nc(NC3CCCC3CCO)c2c1C.
What is the InChIKey of 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
The InChIKey is OECFHQCSHHSRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-13-14(2)27-20-18(13)19(21-16-5-3-4-15(16)6-9-25)22-17(23-20)12-24-7-10-26-11-8-24/h15-16,25H,3-12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol?
2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol has a molecular weight of 390.55 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]ethanol is sourced from PubChem (CID 133496407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).