2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

C17H18FN5O4 — CID 70718992

IUPAC2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H18FN5O4/c18-11-1-3-12(4-2-11)27-10-14-21-9-13(16(25)22-14)15(24)19-5-7-23-8-6-20-17(23)26/h1-4,9H,5-8,10H2,(H,19,24)(H,20,26)(H,21,22,25)
InChIKeyQSAMJSKETAQSCB-UHFFFAOYSA-N
MW375.36 g/mol
LogP0.24
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide

2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70718992) has the molecular formula C17H18FN5O4 and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
PubChem CID70718992
Molecular FormulaC17H18FN5O4
Molecular Weight375.36 g/mol
Exact Mass375.13
IUPAC Name2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCN1CCNC1=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O
InChIInChI=1S/C17H18FN5O4/c18-11-1-3-12(4-2-11)27-10-14-21-9-13(16(25)22-14)15(24)19-5-7-23-8-6-20-17(23)26/h1-4,9H,5-8,10H2,(H,19,24)(H,20,26)(H,21,22,25)
InChIKeyQSAMJSKETAQSCB-UHFFFAOYSA-N
XLogP0.24
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.36
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide (CID 70718992) is 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is O=C(NCCN1CCNC1=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QSAMJSKETAQSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O4/c18-11-1-3-12(4-2-11)27-10-14-21-9-13(16(25)22-14)15(24)19-5-7-23-8-6-20-17(23)26/h1-4,9H,5-8,10H2,(H,19,24)(H,20,26)(H,21,22,25).
What are the key properties of 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 375.36 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70718992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).