methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate

C7H9FN4O2 — CID 69059445

IUPACmethyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)ncc1F
InChIInChI=1S/C7H9FN4O2/c1-14-5(13)3-10-6-4(8)2-11-7(9)12-6/h2H,3H2,1H3,(H3,9,10,11,12)
InChIKeyNGLBFOTUWKJKQH-UHFFFAOYSA-N
MW200.17 g/mol
LogP-0.22
Rot. Bonds3

About methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate

methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate (PubChem CID 69059445) has the molecular formula C7H9FN4O2 and a molecular weight of 200.17 g/mol. Its IUPAC name is methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate
PubChem CID69059445
Molecular FormulaC7H9FN4O2
Molecular Weight200.17 g/mol
Exact Mass200.07
IUPAC Namemethyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1nc(N)ncc1F
InChIInChI=1S/C7H9FN4O2/c1-14-5(13)3-10-6-4(8)2-11-7(9)12-6/h2H,3H2,1H3,(H3,9,10,11,12)
InChIKeyNGLBFOTUWKJKQH-UHFFFAOYSA-N
XLogP-0.22
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate (CID 69059445) is methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate is COC(=O)CNc1nc(N)ncc1F.
What is the InChIKey of methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate?
The InChIKey is NGLBFOTUWKJKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O2/c1-14-5(13)3-10-6-4(8)2-11-7(9)12-6/h2H,3H2,1H3,(H3,9,10,11,12).
What are the key properties of methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate?
methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate has a molecular weight of 200.17 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-5-fluoropyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 69059445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).