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

C13H20F3N3O — CID 80988330

IUPAC5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O/c1-5-6-17-11-9(4)12(20-7-13(14,15)16)19-10(18-11)8(2)3/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyZZBHGAINYRHPED-UHFFFAOYSA-N
MW291.32 g/mol
LogP3.67
Rot. Bonds6

About 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80988330) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80988330
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(OCC(F)(F)F)c1C
InChIInChI=1S/C13H20F3N3O/c1-5-6-17-11-9(4)12(20-7-13(14,15)16)19-10(18-11)8(2)3/h8H,5-7H2,1-4H3,(H,17,18,19)
InChIKeyZZBHGAINYRHPED-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80988330) is 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1nc(C(C)C)nc(OCC(F)(F)F)c1C.
What is the InChIKey of 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is ZZBHGAINYRHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-5-6-17-11-9(4)12(20-7-13(14,15)16)19-10(18-11)8(2)3/h8H,5-7H2,1-4H3,(H,17,18,19).
What are the key properties of 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 291.32 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80988330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).