4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine

C7H11FN4 — CID 59096536

IUPAC4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4/c1-4-10-5(7(2,3)8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12)
InChIKeyPRRPPAFLMBLERJ-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.97
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine

4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine (PubChem CID 59096536) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine
PubChem CID59096536
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C7H11FN4/c1-4-10-5(7(2,3)8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12)
InChIKeyPRRPPAFLMBLERJ-UHFFFAOYSA-N
XLogP0.97
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine (CID 59096536) is 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
The InChIKey is PRRPPAFLMBLERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-4-10-5(7(2,3)8)12-6(9)11-4/h1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine?
4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine has a molecular weight of 170.19 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-6-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 59096536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).