2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine

C6H6Cl3N3 — CID 22899423

IUPAC2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl3N3/c1-12(2)5-3(7)4(8)10-6(9)11-5/h1-2H3
InChIKeyAGTMKRYFBQKBLO-UHFFFAOYSA-N
MW226.49 g/mol
LogP2.50
Rot. Bonds1

About 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine

2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine (PubChem CID 22899423) has the molecular formula C6H6Cl3N3 and a molecular weight of 226.49 g/mol. Its IUPAC name is 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine
PubChem CID22899423
Molecular FormulaC6H6Cl3N3
Molecular Weight226.49 g/mol
Exact Mass224.96
IUPAC Name2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C6H6Cl3N3/c1-12(2)5-3(7)4(8)10-6(9)11-5/h1-2H3
InChIKeyAGTMKRYFBQKBLO-UHFFFAOYSA-N
XLogP2.50
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine (CID 22899423) is 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine is CN(C)c1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is AGTMKRYFBQKBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl3N3/c1-12(2)5-3(7)4(8)10-6(9)11-5/h1-2H3.
What are the key properties of 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine?
2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 226.49 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 22899423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).