ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate

C9H11FN4O4 — CID 58138356

IUPACethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H11FN4O4/c1-2-18-6(15)3-12-8(16)14-4-5(10)7(11)13-9(14)17/h4H,2-3H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyBBRUMJUHPNIUCV-UHFFFAOYSA-N
MW258.21 g/mol
LogP-0.91
Rot. Bonds3

About ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate

ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate (PubChem CID 58138356) has the molecular formula C9H11FN4O4 and a molecular weight of 258.21 g/mol. Its IUPAC name is ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate
PubChem CID58138356
Molecular FormulaC9H11FN4O4
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Nameethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)n1cc(F)c(N)nc1=O
InChIInChI=1S/C9H11FN4O4/c1-2-18-6(15)3-12-8(16)14-4-5(10)7(11)13-9(14)17/h4H,2-3H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyBBRUMJUHPNIUCV-UHFFFAOYSA-N
XLogP-0.91
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate (CID 58138356) is ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate is CCOC(=O)CNC(=O)n1cc(F)c(N)nc1=O.
What is the InChIKey of ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate?
The InChIKey is BBRUMJUHPNIUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O4/c1-2-18-6(15)3-12-8(16)14-4-5(10)7(11)13-9(14)17/h4H,2-3H2,1H3,(H,12,16)(H2,11,13,17).
What are the key properties of ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate?
ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate has a molecular weight of 258.21 g/mol, XLogP of -0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-5-fluoro-2-oxopyrimidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 58138356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).