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

C20H24FN3O3 — CID 70713198

IUPACN-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H24FN3O3/c1-2-24(15-6-4-3-5-7-15)20(26)17-12-22-18(23-19(17)25)13-27-16-10-8-14(21)9-11-16/h8-12,15H,2-7,13H2,1H3,(H,22,23,25)
InChIKeyJJRHEGGGVDQBDW-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.28
Rot. Bonds6

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

N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70713198) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70713198
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC NameN-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C20H24FN3O3/c1-2-24(15-6-4-3-5-7-15)20(26)17-12-22-18(23-19(17)25)13-27-16-10-8-14(21)9-11-16/h8-12,15H,2-7,13H2,1H3,(H,22,23,25)
InChIKeyJJRHEGGGVDQBDW-UHFFFAOYSA-N
XLogP3.28
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70713198) is N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is CCN(C(=O)c1cnc(COc2ccc(F)cc2)[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JJRHEGGGVDQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-2-24(15-6-4-3-5-7-15)20(26)17-12-22-18(23-19(17)25)13-27-16-10-8-14(21)9-11-16/h8-12,15H,2-7,13H2,1H3,(H,22,23,25).
What are the key properties of N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 373.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[(4-fluorophenoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70713198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).