2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C12H18F3N3O — CID 80965279

IUPAC2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-9-6-10(19-7-12(13,14)15)18-11(17-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyRSLJZPJUADREIS-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.36
Rot. Bonds6

About 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80965279) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80965279
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1cc(OCC(F)(F)F)nc(C(C)C)n1
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-9-6-10(19-7-12(13,14)15)18-11(17-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyRSLJZPJUADREIS-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80965279) is 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1cc(OCC(F)(F)F)nc(C(C)C)n1.
What is the InChIKey of 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is RSLJZPJUADREIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-5-16-9-6-10(19-7-12(13,14)15)18-11(17-9)8(2)3/h6,8H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80965279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).