(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate

C17H16FN5O3 — CID 162488565

IUPAC(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1F)N1CCO[C@H](c2nc3ncncc3[nH]2)C1
InChIInChI=1S/C17H16FN5O3/c18-12-4-2-1-3-11(12)9-26-17(24)23-5-6-25-14(8-23)16-21-13-7-19-10-20-15(13)22-16/h1-4,7,10,14H,5-6,8-9H2,(H,19,20,21,22)/t14-/m0/s1
InChIKeyVLNITFBUNSJODX-AWEZNQCLSA-N
MW357.35 g/mol
LogP2.20
Rot. Bonds3

About (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate

(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate (PubChem CID 162488565) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate
PubChem CID162488565
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1F)N1CCO[C@H](c2nc3ncncc3[nH]2)C1
InChIInChI=1S/C17H16FN5O3/c18-12-4-2-1-3-11(12)9-26-17(24)23-5-6-25-14(8-23)16-21-13-7-19-10-20-15(13)22-16/h1-4,7,10,14H,5-6,8-9H2,(H,19,20,21,22)/t14-/m0/s1
InChIKeyVLNITFBUNSJODX-AWEZNQCLSA-N
XLogP2.20
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)methyl 2-(7H-purin-8-yl)morpholine-4-carboxylate
CID 166596565
(3,4-dimethylphenyl)methyl (2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)morpholine-4-carboxylate
CID 158841873
2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
1-[(2R)-2-(3-aminopyrazin-2-yl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 125015943
CID 162016125
CID 162016125
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
2-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663780
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 125012194
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
CID 157499451
3-(2-fluorophenyl)-1-[2-(2-fluorophenyl)morpholin-4-yl]propan-1-one
CID 110609345

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate (CID 162488565) is (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate is O=C(OCc1ccccc1F)N1CCO[C@H](c2nc3ncncc3[nH]2)C1.
What is the InChIKey of (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?
The InChIKey is VLNITFBUNSJODX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FN5O3/c18-12-4-2-1-3-11(12)9-26-17(24)23-5-6-25-14(8-23)16-21-13-7-19-10-20-15(13)22-16/h1-4,7,10,14H,5-6,8-9H2,(H,19,20,21,22)/t14-/m0/s1.
What are the key properties of (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate?
(2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate has a molecular weight of 357.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl (2S)-2-(7H-purin-8-yl)morpholine-4-carboxylate is sourced from PubChem (CID 162488565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).