(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol

C17H26N4O2S — CID 94094742

IUPAC(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4O2S/c1-4-13(10-22)18-16-15-11(2)12(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h13,22H,4-10H2,1-3H3,(H,18,19,20)/t13-/m1/s1
InChIKeyKFXIPQNEZFPGNZ-CYBMUJFWSA-N
MW350.49 g/mol
LogP2.32
Rot. Bonds6

About (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol

(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 94094742) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID94094742
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCC[C@H](CO)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12
InChIInChI=1S/C17H26N4O2S/c1-4-13(10-22)18-16-15-11(2)12(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h13,22H,4-10H2,1-3H3,(H,18,19,20)/t13-/m1/s1
InChIKeyKFXIPQNEZFPGNZ-CYBMUJFWSA-N
XLogP2.32
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol (CID 94094742) is (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is CC[C@H](CO)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12.
What is the InChIKey of (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is KFXIPQNEZFPGNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-4-13(10-22)18-16-15-11(2)12(3)24-17(15)20-14(19-16)9-21-5-7-23-8-6-21/h13,22H,4-10H2,1-3H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol?
(2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 350.49 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 94094742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).