2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide

C12H15N5O2 — CID 90588818

IUPAC2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H15N5O2/c1-19-9-10(18)13-5-7-17-8-6-16-12(17)11-14-3-2-4-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,18)
InChIKeyXTWTXQGQBRKQRX-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.10
Rot. Bonds6

About 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide

2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide (PubChem CID 90588818) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
PubChem CID90588818
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide
SMILESCOCC(=O)NCCn1ccnc1-c1ncccn1
InChIInChI=1S/C12H15N5O2/c1-19-9-10(18)13-5-7-17-8-6-16-12(17)11-14-3-2-4-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,18)
InChIKeyXTWTXQGQBRKQRX-UHFFFAOYSA-N
XLogP0.10
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide (CID 90588818) is 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide is COCC(=O)NCCn1ccnc1-c1ncccn1.
What is the InChIKey of 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
The InChIKey is XTWTXQGQBRKQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-9-10(18)13-5-7-17-8-6-16-12(17)11-14-3-2-4-15-11/h2-4,6,8H,5,7,9H2,1H3,(H,13,18).
What are the key properties of 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide?
2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide has a molecular weight of 261.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 90588818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).