(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

C10H12FN3O — CID 97377891

IUPAC(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFc1cnc(N2C[C@H]3COC[C@H]3C2)nc1
InChIInChI=1S/C10H12FN3O/c11-9-1-12-10(13-2-9)14-3-7-5-15-6-8(7)4-14/h1-2,7-8H,3-6H2/t7-,8+
InChIKeyOQFXIUSAJGNDOQ-OCAPTIKFSA-N
MW209.22 g/mol
LogP0.70
Rot. Bonds1

About (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole

(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (PubChem CID 97377891) has the molecular formula C10H12FN3O and a molecular weight of 209.22 g/mol. Its IUPAC name is (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.

Molecular Properties

Compound Name(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
PubChem CID97377891
Molecular FormulaC10H12FN3O
Molecular Weight209.22 g/mol
Exact Mass209.10
IUPAC Name(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
SMILESFc1cnc(N2C[C@H]3COC[C@H]3C2)nc1
InChIInChI=1S/C10H12FN3O/c11-9-1-12-10(13-2-9)14-3-7-5-15-6-8(7)4-14/h1-2,7-8H,3-6H2/t7-,8+
InChIKeyOQFXIUSAJGNDOQ-OCAPTIKFSA-N
XLogP0.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole 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

(3aS,6aR)-2-(oxolan-3-ylmethyl)-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 127023585
2-[[1-(3-Fluoropropyl)pyrrolidin-3-yl]methoxy]-5-methylpyrimidine
CID 134533841
5-Fluoro-2-[(pyrrolidin-3-yl)methoxy]pyrimidine
CID 71643595
(1-(5-Fluoropyrimidin-2-yl)pyrrolidin-3-yl)methanol
CID 71650035
2-Chloro-5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 79076006
5-fluoro-4-N-(oxolan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80824697
5-Fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844287
5-fluoro-4-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80845046
5-fluoro-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 97165129
5-fluoro-2-[[(3S)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 97165130
[(3S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 97169693
[(3R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 97169694

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The IUPAC name of (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole (CID 97377891) is (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole.
What is the SMILES notation for (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The canonical SMILES for (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is Fc1cnc(N2C[C@H]3COC[C@H]3C2)nc1.
What is the InChIKey of (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
The InChIKey is OQFXIUSAJGNDOQ-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H12FN3O/c11-9-1-12-10(13-2-9)14-3-7-5-15-6-8(7)4-14/h1-2,7-8H,3-6H2/t7-,8+.
What are the key properties of (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole?
(3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole has a molecular weight of 209.22 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole is sourced from PubChem (CID 97377891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).