1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione

C10H12FN5O3 — CID 63556997

IUPAC1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(N)c1noc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H12FN5O3/c1-10(2,12)8-13-6(19-15-8)4-16-3-5(11)7(17)14-9(16)18/h3H,4,12H2,1-2H3,(H,14,17,18)
InChIKeyZFGJXZDMBILSND-UHFFFAOYSA-N
MW269.24 g/mol
LogP-0.70
Rot. Bonds3

About 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione

1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 63556997) has the molecular formula C10H12FN5O3 and a molecular weight of 269.24 g/mol. Its IUPAC name is 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID63556997
Molecular FormulaC10H12FN5O3
Molecular Weight269.24 g/mol
Exact Mass269.09
IUPAC Name1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(N)c1noc(Cn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H12FN5O3/c1-10(2,12)8-13-6(19-15-8)4-16-3-5(11)7(17)14-9(16)18/h3H,4,12H2,1-2H3,(H,14,17,18)
InChIKeyZFGJXZDMBILSND-UHFFFAOYSA-N
XLogP-0.70
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

5-Iodo-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 75470194
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1H-pyrazine-2-carboxamide
CID 125445219
3-(2-{ethyl[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]amino}ethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 132418493
5-Fluoro-6-hydroxy-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 112600152
5-(5-(aminomethyl)-1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 121209369
5-(5-((methylamino)methyl)-1,2,4-oxadiazol-3-yl)-1-(2,2,2-trifluoroethyl)pyrimidine-2,4(1H,3H)-dione
CID 121210402
1-Methyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 146144074
3-methyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]-1H-imidazol-2-one
CID 154779686
N-ethyl-N-[2-oxo-2-[1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethylamino]ethyl]prop-2-enamide
CID 166407737
N-[2-[5-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
CID 167769201
3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)propanamide
CID 49669675
5,6-Diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 118969967

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione (CID 63556997) is 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione is CC(C)(N)c1noc(Cn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is ZFGJXZDMBILSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O3/c1-10(2,12)8-13-6(19-15-8)4-16-3-5(11)7(17)14-9(16)18/h3H,4,12H2,1-2H3,(H,14,17,18).
What are the key properties of 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 269.24 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 63556997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).