N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide

C17H20FN3O4 — CID 122132916

IUPACN-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C17H20FN3O4/c1-17(2,12-5-3-4-6-13(12)18)10-19-14(23)11-9-21(7-8-22)16(25)20-15(11)24/h3-6,9,22H,7-8,10H2,1-2H3,(H,19,23)(H,20,24,25)
InChIKeyLUZKJNNNEXNRQB-UHFFFAOYSA-N
MW349.36 g/mol
LogP0.38
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 122132916) has the molecular formula C17H20FN3O4 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID122132916
Molecular FormulaC17H20FN3O4
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccccc1F
InChIInChI=1S/C17H20FN3O4/c1-17(2,12-5-3-4-6-13(12)18)10-19-14(23)11-9-21(7-8-22)16(25)20-15(11)24/h3-6,9,22H,7-8,10H2,1-2H3,(H,19,23)(H,20,24,25)
InChIKeyLUZKJNNNEXNRQB-UHFFFAOYSA-N
XLogP0.38
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide (CID 122132916) is N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide is CC(C)(CNC(=O)c1cn(CCO)c(=O)[nH]c1=O)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is LUZKJNNNEXNRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O4/c1-17(2,12-5-3-4-6-13(12)18)10-19-14(23)11-9-21(7-8-22)16(25)20-15(11)24/h3-6,9,22H,7-8,10H2,1-2H3,(H,19,23)(H,20,24,25).
What are the key properties of N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide?
N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 122132916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).