[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone

C15H16FN5O2 — CID 121017738

IUPAC[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3ncccn3)C2)c1F
InChIInChI=1S/C15H16FN5O2/c1-2-11-12(16)14(20-9-19-11)23-10-4-7-21(8-10)15(22)13-17-5-3-6-18-13/h3,5-6,9-10H,2,4,7-8H2,1H3
InChIKeyPSMBYAYJJZABDP-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.26
Rot. Bonds4

About [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone

[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 121017738) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID121017738
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3ncccn3)C2)c1F
InChIInChI=1S/C15H16FN5O2/c1-2-11-12(16)14(20-9-19-11)23-10-4-7-21(8-10)15(22)13-17-5-3-6-18-13/h3,5-6,9-10H,2,4,7-8H2,1H3
InChIKeyPSMBYAYJJZABDP-UHFFFAOYSA-N
XLogP1.26
TPSA81.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone (CID 121017738) is [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone is CCc1ncnc(OC2CCN(C(=O)c3ncccn3)C2)c1F.
What is the InChIKey of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is PSMBYAYJJZABDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-2-11-12(16)14(20-9-19-11)23-10-4-7-21(8-10)15(22)13-17-5-3-6-18-13/h3,5-6,9-10H,2,4,7-8H2,1H3.
What are the key properties of [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone?
[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 317.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 121017738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).