[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid

C19H17FN4O6 — CID 22922054

IUPAC[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid
SMILESCOc1ccc(O)c(N(C(=O)O)c2c(N)n(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C19H17FN4O6/c1-22-17(26)15(16(21)23(18(22)27)11-5-3-10(20)4-6-11)24(19(28)29)13-9-12(30-2)7-8-14(13)25/h3-9,25H,21H2,1-2H3,(H,28,29)
InChIKeyHIASMTVEQQDJIY-UHFFFAOYSA-N
MW416.37 g/mol
LogP1.79
Rot. Bonds4

About [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid

[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid (PubChem CID 22922054) has the molecular formula C19H17FN4O6 and a molecular weight of 416.37 g/mol. Its IUPAC name is [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid.

Molecular Properties

Compound Name[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid
PubChem CID22922054
Molecular FormulaC19H17FN4O6
Molecular Weight416.37 g/mol
Exact Mass416.11
IUPAC Name[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid
SMILESCOc1ccc(O)c(N(C(=O)O)c2c(N)n(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1
InChIInChI=1S/C19H17FN4O6/c1-22-17(26)15(16(21)23(18(22)27)11-5-3-10(20)4-6-11)24(19(28)29)13-9-12(30-2)7-8-14(13)25/h3-9,25H,21H2,1-2H3,(H,28,29)
InChIKeyHIASMTVEQQDJIY-UHFFFAOYSA-N
XLogP1.79
TPSA140.02 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid?
The IUPAC name of [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid (CID 22922054) is [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid.
What is the SMILES notation for [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid?
The canonical SMILES for [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid is COc1ccc(O)c(N(C(=O)O)c2c(N)n(-c3ccc(F)cc3)c(=O)n(C)c2=O)c1.
What is the InChIKey of [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid?
The InChIKey is HIASMTVEQQDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O6/c1-22-17(26)15(16(21)23(18(22)27)11-5-3-10(20)4-6-11)24(19(28)29)13-9-12(30-2)7-8-14(13)25/h3-9,25H,21H2,1-2H3,(H,28,29).
What are the key properties of [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid?
[6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid has a molecular weight of 416.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-amino-1-(4-fluorophenyl)-3-methyl-2,4-dioxopyrimidin-5-yl]-(2-hydroxy-5-methoxyphenyl)carbamic acid is sourced from PubChem (CID 22922054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).