1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone

C9H7Cl2N5O — CID 54365975

IUPAC1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone
SMILESCC(=O)n1ccnc1Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H7Cl2N5O/c1-5(17)16-3-2-12-9(16)15-6-7(10)13-4-14-8(6)11/h2-4H,1H3,(H,12,15)
InChIKeyUPUOIDCCMASUEO-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.38
Rot. Bonds2

About 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone

1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone (PubChem CID 54365975) has the molecular formula C9H7Cl2N5O and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone
PubChem CID54365975
Molecular FormulaC9H7Cl2N5O
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone
SMILESCC(=O)n1ccnc1Nc1c(Cl)ncnc1Cl
InChIInChI=1S/C9H7Cl2N5O/c1-5(17)16-3-2-12-9(16)15-6-7(10)13-4-14-8(6)11/h2-4H,1H3,(H,12,15)
InChIKeyUPUOIDCCMASUEO-UHFFFAOYSA-N
XLogP2.38
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone (CID 54365975) is 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone is CC(=O)n1ccnc1Nc1c(Cl)ncnc1Cl.
What is the InChIKey of 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The InChIKey is UPUOIDCCMASUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5O/c1-5(17)16-3-2-12-9(16)15-6-7(10)13-4-14-8(6)11/h2-4H,1H3,(H,12,15).
What are the key properties of 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone has a molecular weight of 272.10 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4,6-dichloropyrimidin-5-yl)amino]imidazol-1-yl]ethanone is sourced from PubChem (CID 54365975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).