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

C12H22FN5 — CID 18769924

IUPAC6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CC(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C12H22FN5/c1-7(2)6-8(3)15-11-17-9(12(4,5)13)16-10(14)18-11/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyHHYVZFBGZYHIMJ-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.50
Rot. Bonds5

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

6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 18769924) has the molecular formula C12H22FN5 and a molecular weight of 255.34 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID18769924
Molecular FormulaC12H22FN5
Molecular Weight255.34 g/mol
Exact Mass255.19
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CC(C)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C12H22FN5/c1-7(2)6-8(3)15-11-17-9(12(4,5)13)16-10(14)18-11/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18)
InChIKeyHHYVZFBGZYHIMJ-UHFFFAOYSA-N
XLogP2.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.50
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-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 18769924) is 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CC(C)CC(C)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HHYVZFBGZYHIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN5/c1-7(2)6-8(3)15-11-17-9(12(4,5)13)16-10(14)18-11/h7-8H,6H2,1-5H3,(H3,14,15,16,17,18).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 255.34 g/mol, XLogP of 2.50, 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-(4-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18769924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).