4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

C9H13F3N4O — CID 103476934

IUPAC4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-5(2)7-14-6(15-8(13)16-7)3-17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyDQPAXEIDGXDHNN-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.66
Rot. Bonds4

About 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine

4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476934) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476934
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(COCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-5(2)7-14-6(15-8(13)16-7)3-17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyDQPAXEIDGXDHNN-UHFFFAOYSA-N
XLogP1.66
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine (CID 103476934) is 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(COCC(F)(F)F)n1.
What is the InChIKey of 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is DQPAXEIDGXDHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-5(2)7-14-6(15-8(13)16-7)3-17-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine?
4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 250.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).