[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C23H33N5O3S — CID 24607766

IUPAC[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCCC(C(=O)N4CCOCC4)C3)c2c1C
InChIInChI=1S/C23H33N5O3S/c1-16-17(2)32-22-20(16)21(24-19(25-22)15-26-6-10-30-11-7-26)28-5-3-4-18(14-28)23(29)27-8-12-31-13-9-27/h18H,3-15H2,1-2H3
InChIKeyVZBWNUTWYYAZHI-UHFFFAOYSA-N
MW459.62 g/mol
LogP2.22
Rot. Bonds4

About [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 24607766) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID24607766
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCc1sc2nc(CN3CCOCC3)nc(N3CCCC(C(=O)N4CCOCC4)C3)c2c1C
InChIInChI=1S/C23H33N5O3S/c1-16-17(2)32-22-20(16)21(24-19(25-22)15-26-6-10-30-11-7-26)28-5-3-4-18(14-28)23(29)27-8-12-31-13-9-27/h18H,3-15H2,1-2H3
InChIKeyVZBWNUTWYYAZHI-UHFFFAOYSA-N
XLogP2.22
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 24607766) is [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is Cc1sc2nc(CN3CCOCC3)nc(N3CCCC(C(=O)N4CCOCC4)C3)c2c1C.
What is the InChIKey of [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is VZBWNUTWYYAZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-16-17(2)32-22-20(16)21(24-19(25-22)15-26-6-10-30-11-7-26)28-5-3-4-18(14-28)23(29)27-8-12-31-13-9-27/h18H,3-15H2,1-2H3.
What are the key properties of [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 459.62 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24607766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).