2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate

C12H17FN4O5 — CID 156663375

IUPAC2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H17FN4O5/c1-14-12(21)22-6-5-16(2)9(18)3-4-17-7-8(13)10(19)15-11(17)20/h7H,3-6H2,1-2H3,(H,14,21)(H,15,19,20)
InChIKeyMWTASIJQJZMJRQ-UHFFFAOYSA-N
MW316.29 g/mol
LogP-1.12
Rot. Bonds6

About 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate

2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate (PubChem CID 156663375) has the molecular formula C12H17FN4O5 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate
PubChem CID156663375
Molecular FormulaC12H17FN4O5
Molecular Weight316.29 g/mol
Exact Mass316.12
IUPAC Name2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate
SMILESCNC(=O)OCCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C12H17FN4O5/c1-14-12(21)22-6-5-16(2)9(18)3-4-17-7-8(13)10(19)15-11(17)20/h7H,3-6H2,1-2H3,(H,14,21)(H,15,19,20)
InChIKeyMWTASIJQJZMJRQ-UHFFFAOYSA-N
XLogP-1.12
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate?
The IUPAC name of 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate (CID 156663375) is 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate?
The canonical SMILES for 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate is CNC(=O)OCCN(C)C(=O)CCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate?
The InChIKey is MWTASIJQJZMJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O5/c1-14-12(21)22-6-5-16(2)9(18)3-4-17-7-8(13)10(19)15-11(17)20/h7H,3-6H2,1-2H3,(H,14,21)(H,15,19,20).
What are the key properties of 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate?
2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate has a molecular weight of 316.29 g/mol, XLogP of -1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl N-methylcarbamate is sourced from PubChem (CID 156663375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).