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

C10H14F3N3O — CID 80858473

IUPAC5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-3-4-14-8-7(2)9(16-6-15-8)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyGRPUAQJZCMUQEK-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.55
Rot. Bonds5

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

5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80858473) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80858473
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)F)c1C
InChIInChI=1S/C10H14F3N3O/c1-3-4-14-8-7(2)9(16-6-15-8)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16)
InChIKeyGRPUAQJZCMUQEK-UHFFFAOYSA-N
XLogP2.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80858473) is 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1ncnc(OCC(F)(F)F)c1C.
What is the InChIKey of 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is GRPUAQJZCMUQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-14-8-7(2)9(16-6-15-8)17-5-10(11,12)13/h6H,3-5H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).