4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one

C16H23FN4O3 — CID 137154591

IUPAC4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H23FN4O3/c1-2-12-8-15(22)19-14(18-12)10-21-9-11(17)7-13(21)16(23)20-3-5-24-6-4-20/h8,11,13H,2-7,9-10H2,1H3,(H,18,19,22)/t11-,13+/m1/s1
InChIKeyUYQKKIANIKCJHX-YPMHNXCESA-N
MW338.38 g/mol
LogP0.10
Rot. Bonds4

About 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one

4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one (PubChem CID 137154591) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
PubChem CID137154591
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Name4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1
InChIInChI=1S/C16H23FN4O3/c1-2-12-8-15(22)19-14(18-12)10-21-9-11(17)7-13(21)16(23)20-3-5-24-6-4-20/h8,11,13H,2-7,9-10H2,1H3,(H,18,19,22)/t11-,13+/m1/s1
InChIKeyUYQKKIANIKCJHX-YPMHNXCESA-N
XLogP0.10
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one (CID 137154591) is 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN2C[C@H](F)C[C@H]2C(=O)N2CCOCC2)n1.
What is the InChIKey of 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
The InChIKey is UYQKKIANIKCJHX-YPMHNXCESA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-2-12-8-15(22)19-14(18-12)10-21-9-11(17)7-13(21)16(23)20-3-5-24-6-4-20/h8,11,13H,2-7,9-10H2,1H3,(H,18,19,22)/t11-,13+/m1/s1.
What are the key properties of 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one?
4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one has a molecular weight of 338.38 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[(2S,4R)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137154591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).