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

C18H17F5N4O3 — CID 10002900

IUPAC2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C18H17F5N4O3/c1-8(2)14(15(29)18(21,22)23)26-13(28)7-27-16(25-6-12(24)17(27)30)9-3-10(19)5-11(20)4-9/h3-6,8,14H,7,24H2,1-2H3,(H,26,28)
InChIKeyDVNRYIBEOOQVDY-UHFFFAOYSA-N
MW432.35 g/mol
LogP2.04
Rot. Bonds6

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

2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (PubChem CID 10002900) has the molecular formula C18H17F5N4O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
PubChem CID10002900
Molecular FormulaC18H17F5N4O3
Molecular Weight432.35 g/mol
Exact Mass432.12
IUPAC Name2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide
SMILESCC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F
InChIInChI=1S/C18H17F5N4O3/c1-8(2)14(15(29)18(21,22)23)26-13(28)7-27-16(25-6-12(24)17(27)30)9-3-10(19)5-11(20)4-9/h3-6,8,14H,7,24H2,1-2H3,(H,26,28)
InChIKeyDVNRYIBEOOQVDY-UHFFFAOYSA-N
XLogP2.04
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The IUPAC name of 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide (CID 10002900) is 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide.
What is the SMILES notation for 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The canonical SMILES for 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is CC(C)C(NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
The InChIKey is DVNRYIBEOOQVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F5N4O3/c1-8(2)14(15(29)18(21,22)23)26-13(28)7-27-16(25-6-12(24)17(27)30)9-3-10(19)5-11(20)4-9/h3-6,8,14H,7,24H2,1-2H3,(H,26,28).
What are the key properties of 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide?
2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide has a molecular weight of 432.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-2-(3,5-difluorophenyl)-6-oxopyrimidin-1-yl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)acetamide is sourced from PubChem (CID 10002900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).