2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

C11H15FN4O3 — CID 86284895

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H15FN4O3/c12-7-2-8(13-4-7)5-14-9(17)1-6-3-15-11(19)16-10(6)18/h3,7-8,13H,1-2,4-5H2,(H,14,17)(H2,15,16,18,19)/t7-,8-/m0/s1
InChIKeyZFFCWNTUAZHJHT-YUMQZZPRSA-N
MW270.26 g/mol
LogP-1.58
Rot. Bonds4

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (PubChem CID 86284895) has the molecular formula C11H15FN4O3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
PubChem CID86284895
Molecular FormulaC11H15FN4O3
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide
SMILESO=C(Cc1c[nH]c(=O)[nH]c1=O)NC[C@@H]1C[C@H](F)CN1
InChIInChI=1S/C11H15FN4O3/c12-7-2-8(13-4-7)5-14-9(17)1-6-3-15-11(19)16-10(6)18/h3,7-8,13H,1-2,4-5H2,(H,14,17)(H2,15,16,18,19)/t7-,8-/m0/s1
InChIKeyZFFCWNTUAZHJHT-YUMQZZPRSA-N
XLogP-1.58
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide (CID 86284895) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is O=C(Cc1c[nH]c(=O)[nH]c1=O)NC[C@@H]1C[C@H](F)CN1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ZFFCWNTUAZHJHT-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H15FN4O3/c12-7-2-8(13-4-7)5-14-9(17)1-6-3-15-11(19)16-10(6)18/h3,7-8,13H,1-2,4-5H2,(H,14,17)(H2,15,16,18,19)/t7-,8-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide has a molecular weight of 270.26 g/mol, XLogP of -1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 86284895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).