N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

C13H15FN6OS — CID 134071130

IUPACN-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(NC2COC3(CCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C13H15FN6OS/c14-9-4-15-11(16-5-9)18-10-3-13(21-6-10)1-2-20(7-13)12-19-17-8-22-12/h4-5,8,10H,1-3,6-7H2,(H,15,16,18)
InChIKeyOELDXPVHSCKQKX-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.32
Rot. Bonds3

About N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine

N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 134071130) has the molecular formula C13H15FN6OS and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

Compound NameN-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
PubChem CID134071130
Molecular FormulaC13H15FN6OS
Molecular Weight322.37 g/mol
Exact Mass322.10
IUPAC NameN-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
SMILESFc1cnc(NC2COC3(CCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C13H15FN6OS/c14-9-4-15-11(16-5-9)18-10-3-13(21-6-10)1-2-20(7-13)12-19-17-8-22-12/h4-5,8,10H,1-3,6-7H2,(H,15,16,18)
InChIKeyOELDXPVHSCKQKX-UHFFFAOYSA-N
XLogP1.32
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486505
(3S,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486507
(3R,5R)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778029
(3R,5S)-N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778030
N-(5-fluoropyrimidin-2-yl)-7-[(1-methylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131638379
7-(5-Fluoropyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071141
7-(5-Methylpyrimidin-2-yl)-3-(1,2,4-triazol-4-yl)-1-oxa-7-azaspiro[4.4]nonane
CID 134071142

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The IUPAC name of N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 134071130) is N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine.
What is the SMILES notation for N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The canonical SMILES for N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is Fc1cnc(NC2COC3(CCN(c4nncs4)C3)C2)nc1.
What is the InChIKey of N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
The InChIKey is OELDXPVHSCKQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN6OS/c14-9-4-15-11(16-5-9)18-10-3-13(21-6-10)1-2-20(7-13)12-19-17-8-22-12/h4-5,8,10H,1-3,6-7H2,(H,15,16,18).
What are the key properties of N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine?
N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 322.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoropyrimidin-2-yl)-7-(1,3,4-thiadiazol-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 134071130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).