2,6-difluoro-N,N-dimethylpyrimidin-4-amine

C6H7F2N3 — CID 594436

IUPAC2,6-difluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(F)nc(F)n1
InChIInChI=1S/C6H7F2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3
InChIKeyWJTITHKMCYOWDZ-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.82
Rot. Bonds1

About 2,6-difluoro-N,N-dimethylpyrimidin-4-amine

2,6-difluoro-N,N-dimethylpyrimidin-4-amine (PubChem CID 594436) has the molecular formula C6H7F2N3 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2,6-difluoro-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2,6-difluoro-N,N-dimethylpyrimidin-4-amine
PubChem CID594436
Molecular FormulaC6H7F2N3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name2,6-difluoro-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)c1cc(F)nc(F)n1
InChIInChI=1S/C6H7F2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3
InChIKeyWJTITHKMCYOWDZ-UHFFFAOYSA-N
XLogP0.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2,6-difluoro-N,N-dimethylpyrimidin-4-amine (CID 594436) is 2,6-difluoro-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2,6-difluoro-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2,6-difluoro-N,N-dimethylpyrimidin-4-amine is CN(C)c1cc(F)nc(F)n1.
What is the InChIKey of 2,6-difluoro-N,N-dimethylpyrimidin-4-amine?
The InChIKey is WJTITHKMCYOWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3/c1-11(2)5-3-4(7)9-6(8)10-5/h3H,1-2H3.
What are the key properties of 2,6-difluoro-N,N-dimethylpyrimidin-4-amine?
2,6-difluoro-N,N-dimethylpyrimidin-4-amine has a molecular weight of 159.14 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 594436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).