N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide

C18H20N4O4 — CID 72883594

IUPACN-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C18H20N4O4/c1-12(23)20-13-7-8-22(10-13)18(25)15-9-19-16(21-17(15)24)11-26-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyQGCRMAKMTLSKJR-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.70
Rot. Bonds5

About N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 72883594) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID72883594
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C18H20N4O4/c1-12(23)20-13-7-8-22(10-13)18(25)15-9-19-16(21-17(15)24)11-26-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H,19,21,24)
InChIKeyQGCRMAKMTLSKJR-UHFFFAOYSA-N
XLogP0.70
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide (CID 72883594) is N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)c2cnc(COc3ccccc3)[nH]c2=O)C1.
What is the InChIKey of N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is QGCRMAKMTLSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12(23)20-13-7-8-22(10-13)18(25)15-9-19-16(21-17(15)24)11-26-14-5-3-2-4-6-14/h2-6,9,13H,7-8,10-11H2,1H3,(H,20,23)(H,19,21,24).
What are the key properties of N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-oxo-2-(phenoxymethyl)-1H-pyrimidine-5-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72883594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).