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

C17H19FN4O3 — CID 66883557

IUPACN-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyTUOUFUKPGBXBAB-UHFFFAOYSA-N
MW346.36 g/mol
LogP0.94
Rot. Bonds4

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

N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (PubChem CID 66883557) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
PubChem CID66883557
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23)
InChIKeyTUOUFUKPGBXBAB-UHFFFAOYSA-N
XLogP0.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (CID 66883557) is N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is Cn1c(CC(=O)Nc2ccc(F)cc2)nc(N2CCOCC2)cc1=O.
What is the InChIKey of N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The InChIKey is TUOUFUKPGBXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-21-14(10-16(23)19-13-4-2-12(18)3-5-13)20-15(11-17(21)24)22-6-8-25-9-7-22/h2-5,11H,6-10H2,1H3,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is sourced from PubChem (CID 66883557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).