6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H19F3N4 — CID 106770433

IUPAC6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-3-5-6-7-17-10-8-9(16-4-2)18-11(19-10)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyDAXPLMCABSTIPG-UHFFFAOYSA-N
MW276.31 g/mol
LogP3.53
Rot. Bonds7

About 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770433) has the molecular formula C12H19F3N4 and a molecular weight of 276.31 g/mol. Its IUPAC name is 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770433
Molecular FormulaC12H19F3N4
Molecular Weight276.31 g/mol
Exact Mass276.16
IUPAC Name6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCCCCNc1cc(NCC)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N4/c1-3-5-6-7-17-10-8-9(16-4-2)18-11(19-10)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19)
InChIKeyDAXPLMCABSTIPG-UHFFFAOYSA-N
XLogP3.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846872
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
6-N-butyl-2-N-ethyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717307
4-N-(2-cyclopropylethyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772336
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
6-N-ethyl-4-N-methyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770662
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
4-N-(2-methylsulfanylethyl)-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772093
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855694

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770433) is 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCCCCNc1cc(NCC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is DAXPLMCABSTIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4/c1-3-5-6-7-17-10-8-9(16-4-2)18-11(19-10)12(13,14)15/h8H,3-7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 276.31 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 6-N-ethyl-4-N-pentyl-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).