4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine

C6H6Cl2FN3 — CID 80550397

IUPAC4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H6Cl2FN3/c1-12(2)6-10-4(7)3(9)5(8)11-6/h1-2H3
InChIKeyPTZOYHYUBPIGOK-UHFFFAOYSA-N
MW210.04 g/mol
LogP1.99
Rot. Bonds1

About 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine

4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine (PubChem CID 80550397) has the molecular formula C6H6Cl2FN3 and a molecular weight of 210.04 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine
PubChem CID80550397
Molecular FormulaC6H6Cl2FN3
Molecular Weight210.04 g/mol
Exact Mass208.99
IUPAC Name4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C6H6Cl2FN3/c1-12(2)6-10-4(7)3(9)5(8)11-6/h1-2H3
InChIKeyPTZOYHYUBPIGOK-UHFFFAOYSA-N
XLogP1.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.04
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine (CID 80550397) is 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine is CN(C)c1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The InChIKey is PTZOYHYUBPIGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2FN3/c1-12(2)6-10-4(7)3(9)5(8)11-6/h1-2H3.
What are the key properties of 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine?
4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine has a molecular weight of 210.04 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80550397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).