2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol

C18H24N6OS — CID 133272554

IUPAC2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
SMILESCc1sc2nc(CN3CCCC3)nc(Nc3cnn(CCO)c3)c2c1C
InChIInChI=1S/C18H24N6OS/c1-12-13(2)26-18-16(12)17(20-14-9-19-24(10-14)7-8-25)21-15(22-18)11-23-5-3-4-6-23/h9-10,25H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyBHJJIVHVCWPCDG-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.84
Rot. Bonds6

About 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol

2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 133272554) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
PubChem CID133272554
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
SMILESCc1sc2nc(CN3CCCC3)nc(Nc3cnn(CCO)c3)c2c1C
InChIInChI=1S/C18H24N6OS/c1-12-13(2)26-18-16(12)17(20-14-9-19-24(10-14)7-8-25)21-15(22-18)11-23-5-3-4-6-23/h9-10,25H,3-8,11H2,1-2H3,(H,20,21,22)
InChIKeyBHJJIVHVCWPCDG-UHFFFAOYSA-N
XLogP2.84
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol (CID 133272554) is 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol is Cc1sc2nc(CN3CCCC3)nc(Nc3cnn(CCO)c3)c2c1C.
What is the InChIKey of 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
The InChIKey is BHJJIVHVCWPCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12-13(2)26-18-16(12)17(20-14-9-19-24(10-14)7-8-25)21-15(22-18)11-23-5-3-4-6-23/h9-10,25H,3-8,11H2,1-2H3,(H,20,21,22).
What are the key properties of 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol?
2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 372.50 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133272554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).