3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C15H22FN5O2 — CID 134074872

IUPAC3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H22FN5O2/c1-10(2)19-14(22)21-4-3-15(9-21)5-12(8-23-15)20-13-17-6-11(16)7-18-13/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyMLACNKLLPQETJM-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.38
Rot. Bonds3

About 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 134074872) has the molecular formula C15H22FN5O2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID134074872
Molecular FormulaC15H22FN5O2
Molecular Weight323.37 g/mol
Exact Mass323.18
IUPAC Name3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC(C)NC(=O)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1
InChIInChI=1S/C15H22FN5O2/c1-10(2)19-14(22)21-4-3-15(9-21)5-12(8-23-15)20-13-17-6-11(16)7-18-13/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,19,22)(H,17,18,20)
InChIKeyMLACNKLLPQETJM-UHFFFAOYSA-N
XLogP1.38
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
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
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
(3S)-N-cyclopentyl-3-(5-fluoropyrimidin-2-yl)oxypyrrolidine-1-carboxamide
CID 129356218
N-(5-fluoropyrimidin-2-yl)-9-(oxan-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-3-amine
CID 131660511
N-[(1S,5S,6R,7S)-6-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]-2-oxabicyclo[3.2.0]heptan-7-yl]acetamide
CID 164637093
(5S,7S)-7-(2-chloro-5-fluoropyrimidin-4-ylamino)-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 86667447
7-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 88589849
(5R,7S)-7-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-3-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 90161924

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 134074872) is 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CC(C)NC(=O)N1CCC2(CC(Nc3ncc(F)cn3)CO2)C1.
What is the InChIKey of 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is MLACNKLLPQETJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O2/c1-10(2)19-14(22)21-4-3-15(9-21)5-12(8-23-15)20-13-17-6-11(16)7-18-13/h6-7,10,12H,3-5,8-9H2,1-2H3,(H,19,22)(H,17,18,20).
What are the key properties of 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoropyrimidin-2-yl)amino]-N-propan-2-yl-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 134074872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).