[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

C24H27FN4O2S — CID 55563763

IUPAC[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1sc2ncnc(N3CCC(C(=O)N4CCOC(c5ccc(F)cc5)C4)CC3)c2c1C
InChIInChI=1S/C24H27FN4O2S/c1-15-16(2)32-23-21(15)22(26-14-27-23)28-9-7-18(8-10-28)24(30)29-11-12-31-20(13-29)17-3-5-19(25)6-4-17/h3-6,14,18,20H,7-13H2,1-2H3
InChIKeyJYIGAAKZCRUEJR-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.26
Rot. Bonds3

About [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone

[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (PubChem CID 55563763) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
PubChem CID55563763
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC Name[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone
SMILESCc1sc2ncnc(N3CCC(C(=O)N4CCOC(c5ccc(F)cc5)C4)CC3)c2c1C
InChIInChI=1S/C24H27FN4O2S/c1-15-16(2)32-23-21(15)22(26-14-27-23)28-9-7-18(8-10-28)24(30)29-11-12-31-20(13-29)17-3-5-19(25)6-4-17/h3-6,14,18,20H,7-13H2,1-2H3
InChIKeyJYIGAAKZCRUEJR-UHFFFAOYSA-N
XLogP4.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The IUPAC name of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone (CID 55563763) is [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is Cc1sc2ncnc(N3CCC(C(=O)N4CCOC(c5ccc(F)cc5)C4)CC3)c2c1C.
What is the InChIKey of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
The InChIKey is JYIGAAKZCRUEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-15-16(2)32-23-21(15)22(26-14-27-23)28-9-7-18(8-10-28)24(30)29-11-12-31-20(13-29)17-3-5-19(25)6-4-17/h3-6,14,18,20H,7-13H2,1-2H3.
What are the key properties of [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone?
[1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone has a molecular weight of 454.57 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-[2-(4-fluorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 55563763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).