N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide

C6H6FN3O3 — CID 154200609

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide
SMILESO=C(CF)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3/c7-1-4(11)9-3-2-8-6(13)10-5(3)12/h2H,1H2,(H,9,11)(H2,8,10,12,13)
InChIKeyWACMZHFOPKUGHB-UHFFFAOYSA-N
MW187.13 g/mol
LogP-1.03
Rot. Bonds2

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide (PubChem CID 154200609) has the molecular formula C6H6FN3O3 and a molecular weight of 187.13 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide
PubChem CID154200609
Molecular FormulaC6H6FN3O3
Molecular Weight187.13 g/mol
Exact Mass187.04
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide
SMILESO=C(CF)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6FN3O3/c7-1-4(11)9-3-2-8-6(13)10-5(3)12/h2H,1H2,(H,9,11)(H2,8,10,12,13)
InChIKeyWACMZHFOPKUGHB-UHFFFAOYSA-N
XLogP-1.03
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Aminouracil
CID 13611
5-(Chloroacetylamino)uracil
CID 253270
5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Dimethylamino)uracil
CID 255552
2,4-dioxo-1H-pyrimidine-5-diazonium
CID 24328
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)acetamide
CID 3150927
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
ST50759025
CID 284250
5-(2'-Chloroethyl)aminouracil
CID 236633
N,N-diethyl-2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 296426
5-Methylaminouracil
CID 255550

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide (CID 154200609) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide is O=C(CF)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide?
The InChIKey is WACMZHFOPKUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN3O3/c7-1-4(11)9-3-2-8-6(13)10-5(3)12/h2H,1H2,(H,9,11)(H2,8,10,12,13).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide has a molecular weight of 187.13 g/mol, XLogP of -1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetamide is sourced from PubChem (CID 154200609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).