2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

C19H20F4N4O3 — CID 10002668

IUPAC2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C19H20F4N4O3/c1-10(2)15(16(29)19(21,22)23)26-14(28)9-27-17(11-4-6-12(20)7-5-11)25-8-13(24-3)18(27)30/h4-8,10,15,24H,9H2,1-3H3,(H,26,28)
InChIKeyLIRGOEPJYUZGAZ-UHFFFAOYSA-N
MW428.39 g/mol
LogP2.36
Rot. Bonds7

About 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide

2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10002668) has the molecular formula C19H20F4N4O3 and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10002668
Molecular FormulaC19H20F4N4O3
Molecular Weight428.39 g/mol
Exact Mass428.15
IUPAC Name2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O
InChIInChI=1S/C19H20F4N4O3/c1-10(2)15(16(29)19(21,22)23)26-14(28)9-27-17(11-4-6-12(20)7-5-11)25-8-13(24-3)18(27)30/h4-8,10,15,24H,9H2,1-3H3,(H,26,28)
InChIKeyLIRGOEPJYUZGAZ-UHFFFAOYSA-N
XLogP2.36
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10002668) is 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CNc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)c1=O.
What is the InChIKey of 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is LIRGOEPJYUZGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O3/c1-10(2)15(16(29)19(21,22)23)26-14(28)9-27-17(11-4-6-12(20)7-5-11)25-8-13(24-3)18(27)30/h4-8,10,15,24H,9H2,1-3H3,(H,26,28).
What are the key properties of 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 428.39 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-5-(methylamino)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10002668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).