(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C19H23FN4O2 — CID 154566317

IUPAC(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESNc1nc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncc1F
InChIInChI=1S/C19H23FN4O2/c20-15-12-22-18(23-17(15)21)24-8-6-19(7-9-24)11-14(25)10-16(26-19)13-4-2-1-3-5-13/h1-5,12,14,16,25H,6-11H2,(H2,21,22,23)/t14-,16-/m1/s1
InChIKeyMLJISHHRTRCZFG-GDBMZVCRSA-N
MW358.42 g/mol
LogP2.45
Rot. Bonds2

About (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 154566317) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID154566317
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESNc1nc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncc1F
InChIInChI=1S/C19H23FN4O2/c20-15-12-22-18(23-17(15)21)24-8-6-19(7-9-24)11-14(25)10-16(26-19)13-4-2-1-3-5-13/h1-5,12,14,16,25H,6-11H2,(H2,21,22,23)/t14-,16-/m1/s1
InChIKeyMLJISHHRTRCZFG-GDBMZVCRSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,4R)-9-(2-amino-5-ethylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506874
(2R,4R)-9-(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154563738
(2R,4R)-9-(6-methylpyrimidin-4-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567588
(2R,4R)-9-(2,5-dimethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155506554
2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
2-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetamide
CID 154563342
[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 154566554
(2S,4S)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 141372126
(3-fluoro-4-hydroxyphenyl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154818101
(2R,4R)-9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564842
(4-fluoro-2-hydroxyphenyl)-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154566636
(2R,4R)-9-[2-(1-methylimidazol-2-yl)ethyl]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154564930

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 154566317) is (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is Nc1nc(N2CCC3(CC2)C[C@H](O)C[C@H](c2ccccc2)O3)ncc1F.
What is the InChIKey of (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is MLJISHHRTRCZFG-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-15-12-22-18(23-17(15)21)24-8-6-19(7-9-24)11-14(25)10-16(26-19)13-4-2-1-3-5-13/h1-5,12,14,16,25H,6-11H2,(H2,21,22,23)/t14-,16-/m1/s1.
What are the key properties of (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 358.42 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-(4-amino-5-fluoropyrimidin-2-yl)-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154566317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).