N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide

C21H24N4O3S — CID 9112710

IUPACN-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C21H24N4O3S/c1-13-14(2)29-21-19(13)20(23-18(24-21)12-25-7-9-27-10-8-25)28-17-6-4-5-16(11-17)22-15(3)26/h4-6,11H,7-10,12H2,1-3H3,(H,22,26)
InChIKeyNSMXHMNSNDPTRG-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.89
Rot. Bonds5

About N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide

N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide (PubChem CID 9112710) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
PubChem CID9112710
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C21H24N4O3S/c1-13-14(2)29-21-19(13)20(23-18(24-21)12-25-7-9-27-10-8-25)28-17-6-4-5-16(11-17)22-15(3)26/h4-6,11H,7-10,12H2,1-3H3,(H,22,26)
InChIKeyNSMXHMNSNDPTRG-UHFFFAOYSA-N
XLogP3.89
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The IUPAC name of N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide (CID 9112710) is N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide.
What is the SMILES notation for N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The canonical SMILES for N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide is CC(=O)Nc1cccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c1.
What is the InChIKey of N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide?
The InChIKey is NSMXHMNSNDPTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-13-14(2)29-21-19(13)20(23-18(24-21)12-25-7-9-27-10-8-25)28-17-6-4-5-16(11-17)22-15(3)26/h4-6,11H,7-10,12H2,1-3H3,(H,22,26).
What are the key properties of N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide?
N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide has a molecular weight of 412.52 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxyphenyl]acetamide is sourced from PubChem (CID 9112710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).