1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone

C15H21FN4O3 — CID 97371856

IUPAC1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H21FN4O3/c1-22-9-13(21)20-4-2-3-15(10-20)5-12(8-23-15)19-14-17-6-11(16)7-18-14/h6-7,12H,2-5,8-10H2,1H3,(H,17,18,19)/t12-,15+/m1/s1
InChIKeyDVPUWXHCRZNDQC-DOMZBBRYSA-N
MW324.36 g/mol
LogP0.82
Rot. Bonds4

About 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone

1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone (PubChem CID 97371856) has the molecular formula C15H21FN4O3 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
PubChem CID97371856
Molecular FormulaC15H21FN4O3
Molecular Weight324.36 g/mol
Exact Mass324.16
IUPAC Name1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H21FN4O3/c1-22-9-13(21)20-4-2-3-15(10-20)5-12(8-23-15)19-14-17-6-11(16)7-18-14/h6-7,12H,2-5,8-10H2,1H3,(H,17,18,19)/t12-,15+/m1/s1
InChIKeyDVPUWXHCRZNDQC-DOMZBBRYSA-N
XLogP0.82
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone with MolForge

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Related Compounds

N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
(3aR,5S,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461421
(3aR,5R,7aR)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461708
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
2-methyl-N-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118739200
N-methyl-2-[(8-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-yl)oxy]acetamide
CID 118742870
3-[2-[(3aS,7aR)-5-(5-fluoropyrimidin-2-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-3a-yl]ethyl]-1,1-dimethylurea
CID 97477281
(3aR,5S,7aS)-1-(5-fluoropyrimidin-2-yl)-N-propan-2-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 125226639
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
(3aR,5R,7aS)-1-(5-fluoropyrimidin-2-yl)-N-(2-methoxyethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 134690160
(2S)-N-[(2R,3S)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]piperidin-3-yl]oxolane-2-carboxamide
CID 153382000
(2S,3R)-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]oxymethyl]-N,N-dimethyl-3-[[(2S)-oxolane-2-carbonyl]amino]piperidine-1-carboxamide
CID 156311181

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone?
The IUPAC name of 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone (CID 97371856) is 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone is COCC(=O)N1CCC[C@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone?
The InChIKey is DVPUWXHCRZNDQC-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H21FN4O3/c1-22-9-13(21)20-4-2-3-15(10-20)5-12(8-23-15)19-14-17-6-11(16)7-18-14/h6-7,12H,2-5,8-10H2,1H3,(H,17,18,19)/t12-,15+/m1/s1.
What are the key properties of 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone?
1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone has a molecular weight of 324.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5S)-3-[(5-fluoropyrimidin-2-yl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methoxyethanone is sourced from PubChem (CID 97371856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).