5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

C9H10FN3O — CID 121020713

IUPAC5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFc1cnc(N2CC3CC2CO3)nc1
InChIInChI=1S/C9H10FN3O/c10-6-2-11-9(12-3-6)13-4-8-1-7(13)5-14-8/h2-3,7-8H,1,4-5H2
InChIKeyYYCKCOGMDQZULL-UHFFFAOYSA-N
MW195.20 g/mol
LogP0.59
Rot. Bonds1

About 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane

5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 121020713) has the molecular formula C9H10FN3O and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID121020713
Molecular FormulaC9H10FN3O
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFc1cnc(N2CC3CC2CO3)nc1
InChIInChI=1S/C9H10FN3O/c10-6-2-11-9(12-3-6)13-4-8-1-7(13)5-14-8/h2-3,7-8H,1,4-5H2
InChIKeyYYCKCOGMDQZULL-UHFFFAOYSA-N
XLogP0.59
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane 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

(4aS,7R,7aR)-4-(5-fluoropyrimidin-2-yl)-7-(2-pyrrolidin-1-ylethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 97365446
(4aR,7aS)-6-(cyclobutylmethyl)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 97510736
(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(oxolan-3-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 118739391
9-(5-Fluoropyrimidin-2-yl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 75482686
(5R,9R)-2-(5-fluoropyrimidin-2-yl)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
CID 97475584
4-(5-Fluoropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 121020737
2-[[(7R,8aR)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]oxy]-N,N-dimethylethanamine
CID 125184210
(7R,8aR)-7-(cyclopropylmethoxy)-2-(5-fluoropyrimidin-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 125186009
5-fluoro-2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 128978429
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-morpholin-4-ylmethanone
CID 129491157
2-(5-Fluoropyrimidin-2-yl)-7-prop-2-enoxy-2-azabicyclo[2.2.1]heptane
CID 131652268
2-[[(3R,3aS,6aR)-1-(5-fluoropyrimidin-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrol-3-yl]oxy]-N,N-dimethylethanamine
CID 134689219

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane (CID 121020713) is 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is Fc1cnc(N2CC3CC2CO3)nc1.
What is the InChIKey of 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YYCKCOGMDQZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O/c10-6-2-11-9(12-3-6)13-4-8-1-7(13)5-14-8/h2-3,7-8H,1,4-5H2.
What are the key properties of 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane?
5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 195.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoropyrimidin-2-yl)-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 121020713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).