2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine

C13H21F3N4 — CID 115523193

IUPAC2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-4-10-19-11(17-3)9(2)12(20-10)18-8-6-5-7-13(14,15)16/h4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyNELOZVMQTJUPMG-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.53
Rot. Bonds7

About 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine

2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine (PubChem CID 115523193) has the molecular formula C13H21F3N4 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
PubChem CID115523193
Molecular FormulaC13H21F3N4
Molecular Weight290.33 g/mol
Exact Mass290.17
IUPAC Name2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
SMILESCCc1nc(NC)c(C)c(NCCCCC(F)(F)F)n1
InChIInChI=1S/C13H21F3N4/c1-4-10-19-11(17-3)9(2)12(20-10)18-8-6-5-7-13(14,15)16/h4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyNELOZVMQTJUPMG-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine (CID 115523193) is 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine is CCc1nc(NC)c(C)c(NCCCCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine?
The InChIKey is NELOZVMQTJUPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4/c1-4-10-19-11(17-3)9(2)12(20-10)18-8-6-5-7-13(14,15)16/h4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine?
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine has a molecular weight of 290.33 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115523193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).