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

C11H20FN5 — CID 18769869

IUPAC6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C11H20FN5/c1-5-7(6-2)14-10-16-8(11(3,4)12)15-9(13)17-10/h7H,5-6H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyMZFGRQPEEZRBCI-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.26
Rot. Bonds5

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

6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18769869) has the molecular formula C11H20FN5 and a molecular weight of 241.31 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID18769869
Molecular FormulaC11H20FN5
Molecular Weight241.31 g/mol
Exact Mass241.17
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C11H20FN5/c1-5-7(6-2)14-10-16-8(11(3,4)12)15-9(13)17-10/h7H,5-6H2,1-4H3,(H3,13,14,15,16,17)
InChIKeyMZFGRQPEEZRBCI-UHFFFAOYSA-N
XLogP2.26
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.26
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-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine (CID 18769869) is 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine is CCC(CC)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is MZFGRQPEEZRBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN5/c1-5-7(6-2)14-10-16-8(11(3,4)12)15-9(13)17-10/h7H,5-6H2,1-4H3,(H3,13,14,15,16,17).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 241.31 g/mol, XLogP of 2.26, 5 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-pentan-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).