N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C11H16F3N3 — CID 62191430

IUPACN,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C11H16F3N3/c1-4-8-7(3)16-9(6-11(12,13)14)17-10(8)15-5-2/h4-6H2,1-3H3,(H,15,16,17)
InChIKeyIDSIVSYALLCVIK-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.88
Rot. Bonds4

About N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 62191430) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID62191430
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCCNc1nc(CC(F)(F)F)nc(C)c1CC
InChIInChI=1S/C11H16F3N3/c1-4-8-7(3)16-9(6-11(12,13)14)17-10(8)15-5-2/h4-6H2,1-3H3,(H,15,16,17)
InChIKeyIDSIVSYALLCVIK-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 62191430) is N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CCNc1nc(CC(F)(F)F)nc(C)c1CC.
What is the InChIKey of N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is IDSIVSYALLCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-4-8-7(3)16-9(6-11(12,13)14)17-10(8)15-5-2/h4-6H2,1-3H3,(H,15,16,17).
What are the key properties of N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 247.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 62191430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).