2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide

C18H21FN4O3 — CID 66882957

IUPAC2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C18H21FN4O3/c1-2-23-16(11-17(24)20-14-5-3-13(19)4-6-14)21-15(12-18(23)25)22-7-9-26-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,24)
InChIKeyKYWNYOUAXKHJSH-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.42
Rot. Bonds5

About 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide

2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 66882957) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide
PubChem CID66882957
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide
SMILESCCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C18H21FN4O3/c1-2-23-16(11-17(24)20-14-5-3-13(19)4-6-14)21-15(12-18(23)25)22-7-9-26-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,24)
InChIKeyKYWNYOUAXKHJSH-UHFFFAOYSA-N
XLogP1.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide (CID 66882957) is 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide is CCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is KYWNYOUAXKHJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-2-23-16(11-17(24)20-14-5-3-13(19)4-6-14)21-15(12-18(23)25)22-7-9-26-10-8-22/h3-6,12H,2,7-11H2,1H3,(H,20,24).
What are the key properties of 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide?
2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 360.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 66882957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).