5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

C9H11F4N3 — CID 79963994

IUPAC5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(F)(F)F)nc(C)c1F
InChIInChI=1S/C9H11F4N3/c1-5-7(10)8(14-2)16-6(15-5)3-4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyIHCMYHHLIYQCNT-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.46
Rot. Bonds3

About 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (PubChem CID 79963994) has the molecular formula C9H11F4N3 and a molecular weight of 237.20 g/mol. Its IUPAC name is 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
PubChem CID79963994
Molecular FormulaC9H11F4N3
Molecular Weight237.20 g/mol
Exact Mass237.09
IUPAC Name5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
SMILESCNc1nc(CCC(F)(F)F)nc(C)c1F
InChIInChI=1S/C9H11F4N3/c1-5-7(10)8(14-2)16-6(15-5)3-4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16)
InChIKeyIHCMYHHLIYQCNT-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The IUPAC name of 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine (CID 79963994) is 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is CNc1nc(CCC(F)(F)F)nc(C)c1F.
What is the InChIKey of 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
The InChIKey is IHCMYHHLIYQCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N3/c1-5-7(10)8(14-2)16-6(15-5)3-4-9(11,12)13/h3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine?
5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine has a molecular weight of 237.20 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 79963994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).