[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone

C14H17FN6O2 — CID 124892078

IUPAC[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1F
InChIInChI=1S/C14H17FN6O2/c1-3-10-12(15)13(17-8-16-10)23-9-4-5-21(6-9)14(22)11-7-20(2)19-18-11/h7-9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyMAXBXRFAYYIFQR-SECBINFHSA-N
MW320.33 g/mol
LogP0.60
Rot. Bonds4

About [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone

[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 124892078) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID124892078
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1F
InChIInChI=1S/C14H17FN6O2/c1-3-10-12(15)13(17-8-16-10)23-9-4-5-21(6-9)14(22)11-7-20(2)19-18-11/h7-9H,3-6H2,1-2H3/t9-/m1/s1
InChIKeyMAXBXRFAYYIFQR-SECBINFHSA-N
XLogP0.60
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1-methyl-1H-1,2,3-triazol-4-yl)methanone
CID 119100470
7-(2-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-oxoethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
CID 121017701
4-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidine-1-carbonyl)-1H-imidazol-2(3H)-one
CID 121017718
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(1,3,5-trimethyl-1H-pyrazol-4-yl)methanone
CID 121017736
4-[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 129355049
(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(2-phenyl-2H-1,2,3-triazol-4-yl)methanone
CID 119100435
1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 121017710
1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone
CID 121017719
(3-((6-Ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)(5-methylpyrazin-2-yl)methanone
CID 121017737
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017740
[(3S)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 124728203
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 124728204

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 124892078) is [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is CCc1ncnc(O[C@@H]2CCN(C(=O)c3cn(C)nn3)C2)c1F.
What is the InChIKey of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is MAXBXRFAYYIFQR-SECBINFHSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-3-10-12(15)13(17-8-16-10)23-9-4-5-21(6-9)14(22)11-7-20(2)19-18-11/h7-9H,3-6H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone has a molecular weight of 320.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 124892078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).