[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

C13H12FN5O2 — CID 129355597

IUPAC[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2/t10-/m0/s1
InChIKeyLRKHUNCCQBVXJQ-JTQLQIEISA-N
MW289.27 g/mol
LogP0.70
Rot. Bonds3

About [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 129355597) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID129355597
Molecular FormulaC13H12FN5O2
Molecular Weight289.27 g/mol
Exact Mass289.10
IUPAC Name[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CC[C@H](Oc2ncc(F)cn2)C1
InChIInChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2/t10-/m0/s1
InChIKeyLRKHUNCCQBVXJQ-JTQLQIEISA-N
XLogP0.70
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone 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

4-{6-[4-(Morpholine-4-carbonyl)-1H-imidazol-1-YL]pyrimidin-4-YL}morpholine
CID 53172089
2-{[2-(Trifluoromethyl)morpholin-4-yl]carbonyl}imidazo[1,2-a]pyrimidine
CID 56861906
[4-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 97451023
Tert-butyl 4-[5-fluoro-4-(5-formyl-2-methylimidazol-1-yl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 166859868
(4-pyrimidin-2-yloxypiperidin-1-yl)-(2H-triazol-4-yl)methanone
CID 56915303
(6-Chloroimidazo[1,2-a]pyrimidin-2-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 56873374
[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-morpholin-4-ylmethanone
CID 97390967
[(6S)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97396527
[(6R)-8-(5-fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97396528
[9-(5-Fluoropyrimidin-2-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrazin-2-ylmethanone
CID 97450915
[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
CID 97457901
[(4aR,7aS)-4-(5-fluoropyrimidin-2-yl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-(5-methylpyrazin-2-yl)methanone
CID 97510724

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 129355597) is [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CC[C@H](Oc2ncc(F)cn2)C1.
What is the InChIKey of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is LRKHUNCCQBVXJQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H12FN5O2/c14-9-5-17-13(18-6-9)21-10-1-4-19(8-10)12(20)11-7-15-2-3-16-11/h2-3,5-7,10H,1,4,8H2/t10-/m0/s1.
What are the key properties of [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 289.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 129355597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).