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

C10H9Cl2N5O — CID 54115945

IUPAC1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone
SMILESCC(=O)n1ccnc1Nc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C10H9Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H,1-2H3,(H,13,16)
InChIKeyNKIWEYXXBYGNJJ-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.69
Rot. Bonds2

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

1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone (PubChem CID 54115945) has the molecular formula C10H9Cl2N5O and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone
PubChem CID54115945
Molecular FormulaC10H9Cl2N5O
Molecular Weight286.12 g/mol
Exact Mass285.02
IUPAC Name1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone
SMILESCC(=O)n1ccnc1Nc1c(Cl)nc(C)nc1Cl
InChIInChI=1S/C10H9Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H,1-2H3,(H,13,16)
InChIKeyNKIWEYXXBYGNJJ-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.69
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-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The IUPAC name of 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone (CID 54115945) is 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone is CC(=O)n1ccnc1Nc1c(Cl)nc(C)nc1Cl.
What is the InChIKey of 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
The InChIKey is NKIWEYXXBYGNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N5O/c1-5-14-8(11)7(9(12)15-5)16-10-13-3-4-17(10)6(2)18/h3-4H,1-2H3,(H,13,16).
What are the key properties of 1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone?
1-[2-[(4,6-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone has a molecular weight of 286.12 g/mol, XLogP of 2.69, 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-dichloro-2-methylpyrimidin-5-yl)amino]imidazol-1-yl]ethanone is sourced from PubChem (CID 54115945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).