(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine

C16H25FN4O — CID 97476280

IUPAC(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCCN(CC)[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H25FN4O/c1-3-20(4-2)14-5-8-22-16(9-14)6-7-21(12-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-,16+/m0/s1
InChIKeyASYWZJWGNDAVCL-GOEBONIOSA-N
MW308.40 g/mol
LogP2.09
Rot. Bonds4

About (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine

(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 97476280) has the molecular formula C16H25FN4O and a molecular weight of 308.40 g/mol. Its IUPAC name is (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID97476280
Molecular FormulaC16H25FN4O
Molecular Weight308.40 g/mol
Exact Mass308.20
IUPAC Name(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESCCN(CC)[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1
InChIInChI=1S/C16H25FN4O/c1-3-20(4-2)14-5-8-22-16(9-14)6-7-21(12-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-,16+/m0/s1
InChIKeyASYWZJWGNDAVCL-GOEBONIOSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,3aS,7aR)-1-(5-fluoropyrimidin-2-yl)-3-(oxan-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97366194
(4aR,7aS)-6-(cyclopentylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510737
(4aR,7aS)-6-(cyclohexylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510738
7-(5-Fluoropyrimidin-2-yl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 118739101
1,1-Dimethyl-3-[8-(5-methylpyrimidin-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-yl]urea
CID 118739194
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
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
9-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-9-azaspiro[4.5]decane
CID 131662077
(3R,4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-N,N-dimethyl-4-propan-2-ylpyrrolidin-3-amine
CID 164640940
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(4-methoxycyclohexyl)-2,7-diazaspiro[4.5]decane
CID 69492780

Frequently Asked Questions

What is the IUPAC name of (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 97476280) is (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine is CCN(CC)[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1.
What is the InChIKey of (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is ASYWZJWGNDAVCL-GOEBONIOSA-N. The full InChI is InChI=1S/C16H25FN4O/c1-3-20(4-2)14-5-8-22-16(9-14)6-7-21(12-16)15-18-10-13(17)11-19-15/h10-11,14H,3-9,12H2,1-2H3/t14-,16+/m0/s1.
What are the key properties of (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 308.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9S)-N,N-diethyl-2-(5-fluoropyrimidin-2-yl)-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 97476280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).