6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine

C7H7F4N3 — CID 70489446

IUPAC6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1ncnc(F)c1C(F)(F)F
InChIInChI=1S/C7H7F4N3/c1-14(2)6-4(7(9,10)11)5(8)12-3-13-6/h3H,1-2H3
InChIKeyIMXGICPNOCZTOV-UHFFFAOYSA-N
MW209.15 g/mol
LogP1.70
Rot. Bonds1

About 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine

6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 70489446) has the molecular formula C7H7F4N3 and a molecular weight of 209.15 g/mol. Its IUPAC name is 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID70489446
Molecular FormulaC7H7F4N3
Molecular Weight209.15 g/mol
Exact Mass209.06
IUPAC Name6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1ncnc(F)c1C(F)(F)F
InChIInChI=1S/C7H7F4N3/c1-14(2)6-4(7(9,10)11)5(8)12-3-13-6/h3H,1-2H3
InChIKeyIMXGICPNOCZTOV-UHFFFAOYSA-N
XLogP1.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.15
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine (CID 70489446) is 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1ncnc(F)c1C(F)(F)F.
What is the InChIKey of 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IMXGICPNOCZTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3/c1-14(2)6-4(7(9,10)11)5(8)12-3-13-6/h3H,1-2H3.
What are the key properties of 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine?
6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 209.15 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dimethyl-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 70489446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).