2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine

C12H18F3N3 — CID 79964004

IUPAC2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-8-10(5-7-16-3)9(2)18-11(17-8)4-6-12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyGLNADOOTVZZRSM-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.35
Rot. Bonds5

About 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine

2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine (PubChem CID 79964004) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine
PubChem CID79964004
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C12H18F3N3/c1-8-10(5-7-16-3)9(2)18-11(17-8)4-6-12(13,14)15/h16H,4-7H2,1-3H3
InChIKeyGLNADOOTVZZRSM-UHFFFAOYSA-N
XLogP2.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.35
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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine (CID 79964004) is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(CCC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is GLNADOOTVZZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-8-10(5-7-16-3)9(2)18-11(17-8)4-6-12(13,14)15/h16H,4-7H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 261.29 g/mol, XLogP of 2.35, 5 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-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 79964004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).