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

C22H27F3N4O3S — CID 30592024

IUPAC(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
SMILESCc1ccc([C@](O)(CCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)C(F)(F)F)o1
InChIInChI=1S/C22H27F3N4O3S/c1-13-4-5-16(32-13)21(30,22(23,24)25)6-7-26-19-18-14(2)15(3)33-20(18)28-17(27-19)12-29-8-10-31-11-9-29/h4-5,30H,6-12H2,1-3H3,(H,26,27,28)/t21-/m1/s1
InChIKeySOZNUKLCCRYKBL-OAQYLSRUSA-N
MW484.54 g/mol
LogP4.29
Rot. Bonds7

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

(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol (PubChem CID 30592024) has the molecular formula C22H27F3N4O3S and a molecular weight of 484.54 g/mol. Its IUPAC name is (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
PubChem CID30592024
Molecular FormulaC22H27F3N4O3S
Molecular Weight484.54 g/mol
Exact Mass484.18
IUPAC Name(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
SMILESCc1ccc([C@](O)(CCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)C(F)(F)F)o1
InChIInChI=1S/C22H27F3N4O3S/c1-13-4-5-16(32-13)21(30,22(23,24)25)6-7-26-19-18-14(2)15(3)33-20(18)28-17(27-19)12-29-8-10-31-11-9-29/h4-5,30H,6-12H2,1-3H3,(H,26,27,28)/t21-/m1/s1
InChIKeySOZNUKLCCRYKBL-OAQYLSRUSA-N
XLogP4.29
TPSA83.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The IUPAC name of (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol (CID 30592024) is (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol.
What is the SMILES notation for (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The canonical SMILES for (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol is Cc1ccc([C@](O)(CCNc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)C(F)(F)F)o1.
What is the InChIKey of (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
The InChIKey is SOZNUKLCCRYKBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H27F3N4O3S/c1-13-4-5-16(32-13)21(30,22(23,24)25)6-7-26-19-18-14(2)15(3)33-20(18)28-17(27-19)12-29-8-10-31-11-9-29/h4-5,30H,6-12H2,1-3H3,(H,26,27,28)/t21-/m1/s1.
What are the key properties of (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol?
(2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol has a molecular weight of 484.54 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]amino]-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol is sourced from PubChem (CID 30592024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).