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

C16H24FN5O2 — CID 97489498

IUPAC(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C16H24FN5O2/c1-11(2)20-15(23)22-5-3-4-16(10-22)6-13(9-24-16)21-14-18-7-12(17)8-19-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,20,23)(H,18,19,21)/t13-,16+/m0/s1
InChIKeyXJOBTMKMEXVOOD-XJKSGUPXSA-N
MW337.40 g/mol
LogP1.77
Rot. Bonds3

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

(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97489498) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97489498
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESCC(C)NC(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C16H24FN5O2/c1-11(2)20-15(23)22-5-3-4-16(10-22)6-13(9-24-16)21-14-18-7-12(17)8-19-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,20,23)(H,18,19,21)/t13-,16+/m0/s1
InChIKeyXJOBTMKMEXVOOD-XJKSGUPXSA-N
XLogP1.77
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
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
5-(6-oxa-9-azaspiro[4.5]decan-9-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99940329
5-[[ethyl(oxan-4-yl)amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 99949653
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

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97489498) is (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide is CC(C)NC(=O)N1CCC[C@@]2(C[C@H](Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is XJOBTMKMEXVOOD-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-11(2)20-15(23)22-5-3-4-16(10-22)6-13(9-24-16)21-14-18-7-12(17)8-19-14/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,20,23)(H,18,19,21)/t13-,16+/m0/s1.
What are the key properties of (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide?
(3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97489498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).