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

C12H12N4O2 — CID 116975761

IUPACmethyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-2-4-13-5-3-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyUIWCPJJODDDHPN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.12
Rot. Bonds4

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

methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate (PubChem CID 116975761) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate
PubChem CID116975761
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Namemethyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate
SMILESCOC(=O)CNc1ncc(-c2ccncc2)cn1
InChIInChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-2-4-13-5-3-9/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyUIWCPJJODDDHPN-UHFFFAOYSA-N
XLogP1.12
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate (CID 116975761) is methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate is COC(=O)CNc1ncc(-c2ccncc2)cn1.
What is the InChIKey of methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate?
The InChIKey is UIWCPJJODDDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-11(17)8-16-12-14-6-10(7-15-12)9-2-4-13-5-3-9/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate?
methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate has a molecular weight of 244.25 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyridin-4-ylpyrimidin-2-yl)amino]acetate is sourced from PubChem (CID 116975761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).