2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

C16H15FN4O2 — CID 118236895

IUPAC2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESO=C(CF)Nc1c[nH]c2ncnc(OCCc3ccccc3)c12
InChIInChI=1S/C16H15FN4O2/c17-8-13(22)21-12-9-18-15-14(12)16(20-10-19-15)23-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,22)(H,18,19,20)
InChIKeyGYRJGFSHTWGCOE-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.49
Rot. Bonds6

About 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide

2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (PubChem CID 118236895) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
PubChem CID118236895
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide
SMILESO=C(CF)Nc1c[nH]c2ncnc(OCCc3ccccc3)c12
InChIInChI=1S/C16H15FN4O2/c17-8-13(22)21-12-9-18-15-14(12)16(20-10-19-15)23-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,22)(H,18,19,20)
InChIKeyGYRJGFSHTWGCOE-UHFFFAOYSA-N
XLogP2.49
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enamide
CID 118236693
2-fluoro-1-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
CID 118237033
N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-1-ene-1-sulfonamide
CID 154333338
1-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]but-2-en-1-one
CID 123956787
(Z)-3-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-enenitrile
CID 118236704
4-oxo-4-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)butanal
CID 123476809
2-methyl-1-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-en-1-one
CID 118236681
3-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
CID 123411198
(E)-N-methyl-3-(4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)prop-2-enamide
CID 118236827
N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55675133
N-(3-chloro-1H-indol-4-yl)-2-fluoroacetamide
CID 174435771
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The IUPAC name of 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide (CID 118236895) is 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is O=C(CF)Nc1c[nH]c2ncnc(OCCc3ccccc3)c12.
What is the InChIKey of 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
The InChIKey is GYRJGFSHTWGCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-8-13(22)21-12-9-18-15-14(12)16(20-10-19-15)23-7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2,(H,21,22)(H,18,19,20).
What are the key properties of 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide?
2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide has a molecular weight of 314.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(2-phenylethoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 118236895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).