2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C15H26FN5 — CID 139833189

IUPAC2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C15H26FN5/c1-4-11(10-8-6-5-7-9-10)18-14-20-12(15(2,3)16)19-13(17)21-14/h10-11H,4-9H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyDRPACLHRDUVHSX-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.43
Rot. Bonds5

About 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 139833189) has the molecular formula C15H26FN5 and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID139833189
Molecular FormulaC15H26FN5
Molecular Weight295.41 g/mol
Exact Mass295.22
IUPAC Name2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C15H26FN5/c1-4-11(10-8-6-5-7-9-10)18-14-20-12(15(2,3)16)19-13(17)21-14/h10-11H,4-9H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyDRPACLHRDUVHSX-UHFFFAOYSA-N
XLogP3.43
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-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

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 139833189) is 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1.
What is the InChIKey of 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is DRPACLHRDUVHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FN5/c1-4-11(10-8-6-5-7-9-10)18-14-20-12(15(2,3)16)19-13(17)21-14/h10-11H,4-9H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 295.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclohexylpropyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 139833189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).