5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H16F3N3 — CID 55045296

IUPAC5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc(C)c1C
InChIInChI=1S/C11H16F3N3/c1-4-5-15-10-7(2)8(3)16-9(17-10)6-11(12,13)14/h4-6H2,1-3H3,(H,15,16,17)
InChIKeyDZXRRTFUYRLCCL-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.02
Rot. Bonds4

About 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 55045296) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID55045296
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC Name5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCCNc1nc(CC(F)(F)F)nc(C)c1C
InChIInChI=1S/C11H16F3N3/c1-4-5-15-10-7(2)8(3)16-9(17-10)6-11(12,13)14/h4-6H2,1-3H3,(H,15,16,17)
InChIKeyDZXRRTFUYRLCCL-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 55045296) is 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCCNc1nc(CC(F)(F)F)nc(C)c1C.
What is the InChIKey of 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is DZXRRTFUYRLCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-4-5-15-10-7(2)8(3)16-9(17-10)6-11(12,13)14/h4-6H2,1-3H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-propyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 55045296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).