(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate

C10H14FN3O3 — CID 58166456

IUPAC(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O3/c1-10(2,3)8(15)17-5-14-4-6(11)7(12)13-9(14)16/h4H,5H2,1-3H3,(H2,12,13,16)
InChIKeySQQMMWHNOMUEHL-UHFFFAOYSA-N
MW243.24 g/mol
LogP0.51
Rot. Bonds2

About (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate

(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 58166456) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID58166456
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCn1cc(F)c(N)nc1=O
InChIInChI=1S/C10H14FN3O3/c1-10(2,3)8(15)17-5-14-4-6(11)7(12)13-9(14)16/h4H,5H2,1-3H3,(H2,12,13,16)
InChIKeySQQMMWHNOMUEHL-UHFFFAOYSA-N
XLogP0.51
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate (CID 58166456) is (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCn1cc(F)c(N)nc1=O.
What is the InChIKey of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is SQQMMWHNOMUEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-10(2,3)8(15)17-5-14-4-6(11)7(12)13-9(14)16/h4H,5H2,1-3H3,(H2,12,13,16).
What are the key properties of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 243.24 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 58166456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).