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

C14H26FN5 — CID 18769881

IUPAC6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCC(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C14H26FN5/c1-9(2)7-6-8-10(3)17-13-19-11(14(4,5)15)18-12(16)20-13/h9-10H,6-8H2,1-5H3,(H3,16,17,18,19,20)
InChIKeyVMFSZNLNEGIBOY-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.29
Rot. Bonds7

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

6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18769881) has the molecular formula C14H26FN5 and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18769881
Molecular FormulaC14H26FN5
Molecular Weight283.40 g/mol
Exact Mass283.22
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCCC(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C14H26FN5/c1-9(2)7-6-8-10(3)17-13-19-11(14(4,5)15)18-12(16)20-13/h9-10H,6-8H2,1-5H3,(H3,16,17,18,19,20)
InChIKeyVMFSZNLNEGIBOY-UHFFFAOYSA-N
XLogP3.29
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine (CID 18769881) is 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)CCCC(C)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VMFSZNLNEGIBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN5/c1-9(2)7-6-8-10(3)17-13-19-11(14(4,5)15)18-12(16)20-13/h9-10H,6-8H2,1-5H3,(H3,16,17,18,19,20).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 283.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(6-methylheptan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).