5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one

C19H22FN3O4 — CID 70729815

IUPAC5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOCC1CCCN1C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C19H22FN3O4/c1-2-26-11-14-4-3-9-23(14)19(25)16-10-21-17(22-18(16)24)12-27-15-7-5-13(20)6-8-15/h5-8,10,14H,2-4,9,11-12H2,1H3,(H,21,22,24)
InChIKeyCVEIZGHHEPNNST-UHFFFAOYSA-N
MW375.40 g/mol
LogP2.13
Rot. Bonds7

About 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one

5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 70729815) has the molecular formula C19H22FN3O4 and a molecular weight of 375.40 g/mol. Its IUPAC name is 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one
PubChem CID70729815
Molecular FormulaC19H22FN3O4
Molecular Weight375.40 g/mol
Exact Mass375.16
IUPAC Name5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one
SMILESCCOCC1CCCN1C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C19H22FN3O4/c1-2-26-11-14-4-3-9-23(14)19(25)16-10-21-17(22-18(16)24)12-27-15-7-5-13(20)6-8-15/h5-8,10,14H,2-4,9,11-12H2,1H3,(H,21,22,24)
InChIKeyCVEIZGHHEPNNST-UHFFFAOYSA-N
XLogP2.13
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one (CID 70729815) is 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one is CCOCC1CCCN1C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is CVEIZGHHEPNNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O4/c1-2-26-11-14-4-3-9-23(14)19(25)16-10-21-17(22-18(16)24)12-27-15-7-5-13(20)6-8-15/h5-8,10,14H,2-4,9,11-12H2,1H3,(H,21,22,24).
What are the key properties of 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one?
5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 375.40 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethoxymethyl)pyrrolidine-1-carbonyl]-2-[(4-fluorophenoxy)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 70729815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).