N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide

C25H23F2N5O2S — CID 2576837

IUPACN-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H23F2N5O2S/c26-19-7-6-17(12-20(19)27)29-22(33)13-28-24-23-18(16-4-2-1-3-5-16)15-35-25(23)31-21(30-24)14-32-8-10-34-11-9-32/h1-7,12,15H,8-11,13-14H2,(H,29,33)(H,28,30,31)
InChIKeyAOGRFZZOQAEWGD-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.52
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 2576837) has the molecular formula C25H23F2N5O2S and a molecular weight of 495.56 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
PubChem CID2576837
Molecular FormulaC25H23F2N5O2S
Molecular Weight495.56 g/mol
Exact Mass495.15
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide
SMILESO=C(CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)Nc1ccc(F)c(F)c1
InChIInChI=1S/C25H23F2N5O2S/c26-19-7-6-17(12-20(19)27)29-22(33)13-28-24-23-18(16-4-2-1-3-5-16)15-35-25(23)31-21(30-24)14-32-8-10-34-11-9-32/h1-7,12,15H,8-11,13-14H2,(H,29,33)(H,28,30,31)
InChIKeyAOGRFZZOQAEWGD-UHFFFAOYSA-N
XLogP4.52
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2535766
N-benzyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2481763
N-(3-chlorophenyl)-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 4846737
N-[(2-chlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2487092
2-(morpholin-4-ylmethyl)-N-(2-phenoxyethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16553286
N-[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 16553194
2-(morpholin-4-ylmethyl)-5-phenyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 16553174
N-cycloheptyl-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2408575
N-[(6-methoxy-3-pyridinyl)methyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 16605764
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 32705656
2-(methoxymethyl)-N-(2-morpholin-4-ylethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 133278714
2-methyl-N-(3-morpholin-4-ylpropyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9280306

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide (CID 2576837) is N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide is O=C(CNc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is AOGRFZZOQAEWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2S/c26-19-7-6-17(12-20(19)27)29-22(33)13-28-24-23-18(16-4-2-1-3-5-16)15-35-25(23)31-21(30-24)14-32-8-10-34-11-9-32/h1-7,12,15H,8-11,13-14H2,(H,29,33)(H,28,30,31).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 495.56 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-(morpholin-4-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 2576837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).