5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

C14H14F3N3 — CID 62191599

IUPAC5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(F)c(F)c(F)c2)nc1NC
InChIInChI=1S/C14H14F3N3/c1-4-9-7(2)19-13(20-14(9)18-3)8-5-10(15)12(17)11(16)6-8/h5-6H,4H2,1-3H3,(H,18,19,20)
InChIKeyDKCBXGNOZPJDPU-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.47
Rot. Bonds3

About 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine

5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (PubChem CID 62191599) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
PubChem CID62191599
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2cc(F)c(F)c(F)c2)nc1NC
InChIInChI=1S/C14H14F3N3/c1-4-9-7(2)19-13(20-14(9)18-3)8-5-10(15)12(17)11(16)6-8/h5-6H,4H2,1-3H3,(H,18,19,20)
InChIKeyDKCBXGNOZPJDPU-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine (CID 62191599) is 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is CCc1c(C)nc(-c2cc(F)c(F)c(F)c2)nc1NC.
What is the InChIKey of 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
The InChIKey is DKCBXGNOZPJDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-4-9-7(2)19-13(20-14(9)18-3)8-5-10(15)12(17)11(16)6-8/h5-6H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine?
5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine has a molecular weight of 281.28 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,6-dimethyl-2-(3,4,5-trifluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62191599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).