methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate

C8H10FN3O3 — CID 112703180

IUPACmethyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1ncc(F)cn1
InChIInChI=1S/C8H10FN3O3/c1-15-7(14)6(4-13)12-8-10-2-5(9)3-11-8/h2-3,6,13H,4H2,1H3,(H,10,11,12)
InChIKeyPGJKISSQLWGPKN-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.44
Rot. Bonds4

About methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate

methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate (PubChem CID 112703180) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
PubChem CID112703180
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Namemethyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)Nc1ncc(F)cn1
InChIInChI=1S/C8H10FN3O3/c1-15-7(14)6(4-13)12-8-10-2-5(9)3-11-8/h2-3,6,13H,4H2,1H3,(H,10,11,12)
InChIKeyPGJKISSQLWGPKN-UHFFFAOYSA-N
XLogP-0.44
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate (CID 112703180) is methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate is COC(=O)C(CO)Nc1ncc(F)cn1.
What is the InChIKey of methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate?
The InChIKey is PGJKISSQLWGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c1-15-7(14)6(4-13)12-8-10-2-5(9)3-11-8/h2-3,6,13H,4H2,1H3,(H,10,11,12).
What are the key properties of methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate?
methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate has a molecular weight of 215.18 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-fluoropyrimidin-2-yl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 112703180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).