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

C14H24FN5 — CID 15477558

IUPAC2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C14H24FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h9-10H,4-8H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyPKKHPYYIGUVNJS-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.04
Rot. Bonds4

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

2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 15477558) has the molecular formula C14H24FN5 and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID15477558
Molecular FormulaC14H24FN5
Molecular Weight281.38 g/mol
Exact Mass281.20
IUPAC Name2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1
InChIInChI=1S/C14H24FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h9-10H,4-8H2,1-3H3,(H3,16,17,18,19,20)
InChIKeyPKKHPYYIGUVNJS-UHFFFAOYSA-N
XLogP3.04
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 15477558) is 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is CC(Nc1nc(N)nc(C(C)(C)F)n1)C1CCCCC1.
What is the InChIKey of 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PKKHPYYIGUVNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN5/c1-9(10-7-5-4-6-8-10)17-13-19-11(14(2,3)15)18-12(16)20-13/h9-10H,4-8H2,1-3H3,(H3,16,17,18,19,20).
What are the key properties of 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 281.38 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclohexylethyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15477558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).