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

C14H17FN6O2 — CID 119100470

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCCc1ncnc(OC2CCN(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
InChIKeyMAXBXRFAYYIFQR-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.60
Rot. Bonds4

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

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (PubChem CID 119100470) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
PubChem CID119100470
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
SMILESCCc1ncnc(OC2CCN(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
InChIKeyMAXBXRFAYYIFQR-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone (CID 119100470) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is CCc1ncnc(OC2CCN(C(=O)c3cn(C)nn3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
The InChIKey is MAXBXRFAYYIFQR-UHFFFAOYSA-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.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone?
[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 [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 119100470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).