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

C10H16F3N5 — CID 112746486

IUPAC2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)N(C)c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-4-5-6(2)18(3)9-16-7(10(11,12)13)15-8(14)17-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyVXTCVOOCTPNDJG-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.10
Rot. Bonds4

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

2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746486) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746486
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)N(C)c1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-4-5-6(2)18(3)9-16-7(10(11,12)13)15-8(14)17-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17)
InChIKeyVXTCVOOCTPNDJG-UHFFFAOYSA-N
XLogP2.10
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746486) is 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCCC(C)N(C)c1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VXTCVOOCTPNDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-4-5-6(2)18(3)9-16-7(10(11,12)13)15-8(14)17-9/h6H,4-5H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).