(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide

C15H22FN5O2 — CID 97489476

IUPAC(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H22FN5O2/c1-20(2)14(22)21-5-3-4-15(10-21)6-12(9-23-15)19-13-17-7-11(16)8-18-13/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18,19)/t12-,15-/m1/s1
InChIKeyJPKBPUGMDZUSGE-IUODEOHRSA-N
MW323.37 g/mol
LogP1.33
Rot. Bonds2

About (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide

(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97489476) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97489476
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCN(C)C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H22FN5O2/c1-20(2)14(22)21-5-3-4-15(10-21)6-12(9-23-15)19-13-17-7-11(16)8-18-13/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18,19)/t12-,15-/m1/s1
InChIKeyJPKBPUGMDZUSGE-IUODEOHRSA-N
XLogP1.33
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-{[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide
CID 72937737
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
8-ethyl-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 118739784
N-[(1r,4r)-4-[(5-fluoropyrimidin-2-yl)oxy]cyclohexyl]morpholine-4-carboxamide
CID 91626436
1-[(5R,9R)-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-yl]pyrrolidin-2-one
CID 97474736
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
N-(5-fluoropyrimidin-2-yl)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131659823
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
8-(5-Fluoropyrimidin-2-yl)-3-morpholin-4-yl-1-oxa-8-azaspiro[4.5]decane
CID 131660931
(1R*,5R*,6S*,7R*)-N~6~-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N~7~,N~7~-dimethyl-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 133264730
5-fluoro-4-N,4-N-dimethyl-2-N-[[(3R)-2-oxa-8-azaspiro[4.5]decan-3-yl]methyl]pyrimidine-2,4-diamine
CID 171359687

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97489476) is (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide is CN(C)C(=O)N1CCC[C@@]2(C[C@@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is JPKBPUGMDZUSGE-IUODEOHRSA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-20(2)14(22)21-5-3-4-15(10-21)6-12(9-23-15)19-13-17-7-11(16)8-18-13/h7-8,12H,3-6,9-10H2,1-2H3,(H,17,18,19)/t12-,15-/m1/s1.
What are the key properties of (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
(3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97489476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).