4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C11H15F3N4 — CID 90961758

IUPAC4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(NC2CCCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-6-16-10(15)18-9(8)17-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,15,16,17,18)
InChIKeyWKMZHEJDGBHSHJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.82
Rot. Bonds2

About 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 90961758) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID90961758
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(C(F)(F)F)c(NC2CCCCC2)n1
InChIInChI=1S/C11H15F3N4/c12-11(13,14)8-6-16-10(15)18-9(8)17-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,15,16,17,18)
InChIKeyWKMZHEJDGBHSHJ-UHFFFAOYSA-N
XLogP2.82
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Cyclohexylamino)pyrimidine-2-carbonitrile
CID 16108884
2-chloro-N-cyclohexyl-5-fluoropyrimidin-4-amine
CID 3573094
4-Amino-2-cyclohexylamino-5-pyrimidinecarbonitrile
CID 4163635
4-N-(4-aminocyclohexyl)pyrimidine-2,4-diamine
CID 49857008
US10266549, Example 168c
CID 118908038
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
1-N-pyrimidin-4-yl-4-N-[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 168277278
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
N2,N4-dicyclopropyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118908048
2-(Piperidin-2-yl)-5-(trifluoromethyl)pyrimidine hydrochloride
CID 155859066
2-N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoro-4-N-methylpyrimidine-2,4-diamine
CID 125439178
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-fluoropyrimidin-2-amine
CID 125443539

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 90961758) is 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1ncc(C(F)(F)F)c(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is WKMZHEJDGBHSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c12-11(13,14)8-6-16-10(15)18-9(8)17-7-4-2-1-3-5-7/h6-7H,1-5H2,(H3,15,16,17,18).
What are the key properties of 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 260.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 90961758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).