(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate

C10H14FN3O3 — CID 59160731

IUPAC(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOc1ncc(F)c(N)n1
InChIInChI=1S/C10H14FN3O3/c1-10(2,3)8(15)16-5-17-9-13-4-6(11)7(12)14-9/h4H,5H2,1-3H3,(H2,12,13,14)
InChIKeyVVZWIUCAKWAYPM-UHFFFAOYSA-N
MW243.24 g/mol
LogP1.12
Rot. Bonds3

About (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate

(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate (PubChem CID 59160731) has the molecular formula C10H14FN3O3 and a molecular weight of 243.24 g/mol. Its IUPAC name is (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
PubChem CID59160731
Molecular FormulaC10H14FN3O3
Molecular Weight243.24 g/mol
Exact Mass243.10
IUPAC Name(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCOc1ncc(F)c(N)n1
InChIInChI=1S/C10H14FN3O3/c1-10(2,3)8(15)16-5-17-9-13-4-6(11)7(12)14-9/h4H,5H2,1-3H3,(H2,12,13,14)
InChIKeyVVZWIUCAKWAYPM-UHFFFAOYSA-N
XLogP1.12
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The IUPAC name of (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate (CID 59160731) is (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The canonical SMILES for (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCOc1ncc(F)c(N)n1.
What is the InChIKey of (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
The InChIKey is VVZWIUCAKWAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O3/c1-10(2,3)8(15)16-5-17-9-13-4-6(11)7(12)14-9/h4H,5H2,1-3H3,(H2,12,13,14).
What are the key properties of (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate?
(4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate has a molecular weight of 243.24 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluoropyrimidin-2-yl)oxymethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 59160731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).