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

C13H19F3N4 — CID 114564248

IUPAC4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(20-12(17)19-10)18-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,17,18,19,20)
InChIKeyCONREVMQCULOLS-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.46
Rot. Bonds4

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

4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114564248) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114564248
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC Name4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESNc1nc(NCCC2CCCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(20-12(17)19-10)18-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,17,18,19,20)
InChIKeyCONREVMQCULOLS-UHFFFAOYSA-N
XLogP3.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114564248) is 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is Nc1nc(NCCC2CCCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is CONREVMQCULOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c14-13(15,16)10-8-11(20-12(17)19-10)18-7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H3,17,18,19,20).
What are the key properties of 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 288.32 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclohexylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114564248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).