N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide

C17H21FN4O3 — CID 2644556

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C17H21FN4O3/c1-3-5-10-22-14(19)13(15(23)20-17(22)25)21(4-2)16(24)11-8-6-7-9-12(11)18/h6-9H,3-5,10,19H2,1-2H3,(H,20,23,25)
InChIKeyXXDXSABYYBRLJU-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.72
Rot. Bonds6

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide (PubChem CID 2644556) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide
PubChem CID2644556
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C17H21FN4O3/c1-3-5-10-22-14(19)13(15(23)20-17(22)25)21(4-2)16(24)11-8-6-7-9-12(11)18/h6-9H,3-5,10,19H2,1-2H3,(H,20,23,25)
InChIKeyXXDXSABYYBRLJU-UHFFFAOYSA-N
XLogP1.72
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide (CID 2644556) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide is CCCCn1c(N)c(N(CC)C(=O)c2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide?
The InChIKey is XXDXSABYYBRLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-3-5-10-22-14(19)13(15(23)20-17(22)25)21(4-2)16(24)11-8-6-7-9-12(11)18/h6-9H,3-5,10,19H2,1-2H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide has a molecular weight of 348.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-2-fluorobenzamide is sourced from PubChem (CID 2644556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).