2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine

C12H18F3N3 — CID 62756188

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-7(6-16-4)11-8(2)17-10(18-9(11)3)5-12(13,14)15/h7,16H,5-6H2,1-4H3
InChIKeyLRFDQJZEDOUTLR-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.52
Rot. Bonds4

About 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 62756188) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID62756188
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-7(6-16-4)11-8(2)17-10(18-9(11)3)5-12(13,14)15/h7,16H,5-6H2,1-4H3
InChIKeyLRFDQJZEDOUTLR-UHFFFAOYSA-N
XLogP2.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine (CID 62756188) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine is CNCC(C)c1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is LRFDQJZEDOUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-7(6-16-4)11-8(2)17-10(18-9(11)3)5-12(13,14)15/h7,16H,5-6H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62756188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).