4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4 — CID 114565829

IUPAC4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-6-9(18-10(15)17-8)16-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,15,16,17,18)
InChIKeyORIVLRKPBSOOEN-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.68
Rot. Bonds4

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

4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114565829) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114565829
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC2CCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-6-9(18-10(15)17-8)16-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,15,16,17,18)
InChIKeyORIVLRKPBSOOEN-UHFFFAOYSA-N
XLogP2.68
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-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

2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
2-N-heptyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225986
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
2-N-[2-(dimethylamino)ethyl]-4-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137635183
4-N-[2-(dimethylamino)ethyl]-2-N-hexyl-6-methylpyrimidine-2,4-diamine
CID 137637881
2-Amino-4-n-butylamino-6-methylpyrimidine
CID 57279993
N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 86277306
2-chloro-N-hexyl-6-methylpyrimidin-4-amine
CID 64182756
N,N,6-trimethyl-2-piperidin-3-ylpyrimidin-4-amine
CID 66509977
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyrimidin-2-amine
CID 90655031
4-N-dodecyl-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 137650618
Pyrimidine, 4-isobutylamino-2,6-dimethyl-
CID 21059253

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114565829) is 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCCC2CCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is ORIVLRKPBSOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-6-9(18-10(15)17-8)16-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,15,16,17,18).
What are the key properties of 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114565829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).