methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate

C13H13FN4O2 — CID 58904889

IUPACmethyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)c1nccc(-c2cccc(F)n2)n1
InChIInChI=1S/C13H13FN4O2/c1-18(8-12(19)20-2)13-15-7-6-10(17-13)9-4-3-5-11(14)16-9/h3-7H,8H2,1-2H3
InChIKeyOEDJVZBDVQBPOH-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.29
Rot. Bonds4

About methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate

methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate (PubChem CID 58904889) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate
PubChem CID58904889
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Namemethyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)c1nccc(-c2cccc(F)n2)n1
InChIInChI=1S/C13H13FN4O2/c1-18(8-12(19)20-2)13-15-7-6-10(17-13)9-4-3-5-11(14)16-9/h3-7H,8H2,1-2H3
InChIKeyOEDJVZBDVQBPOH-UHFFFAOYSA-N
XLogP1.29
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 155935990
CID 155935990
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CID 101567471
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CID 46081732
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CID 75471916
CID 75471916
CID 22380134
CID 22380134
CID 25072025
CID 25072025
CID 25072351
CID 25072351
CID 57436247
CID 57436247
CID 58258910
CID 58258910
CID 58774785
CID 58774785
CID 58904817
CID 58904817

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate (CID 58904889) is methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate is COC(=O)CN(C)c1nccc(-c2cccc(F)n2)n1.
What is the InChIKey of methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate?
The InChIKey is OEDJVZBDVQBPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-18(8-12(19)20-2)13-15-7-6-10(17-13)9-4-3-5-11(14)16-9/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate?
methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate has a molecular weight of 276.27 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]-methylamino]acetate is sourced from PubChem (CID 58904889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).