2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

C10H14F3N3O — CID 82959205

IUPAC2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OCCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-7-15-8(14)6(2)9(16-7)17-5-4-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyAZLBBCSTOUVRMR-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.26
Rot. Bonds4

About 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine

2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (PubChem CID 82959205) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
PubChem CID82959205
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OCCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-3-7-15-8(14)6(2)9(16-7)17-5-4-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyAZLBBCSTOUVRMR-UHFFFAOYSA-N
XLogP2.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine (CID 82959205) is 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(OCCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
The InChIKey is AZLBBCSTOUVRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-7-15-8(14)6(2)9(16-7)17-5-4-10(11,12)13/h3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine has a molecular weight of 249.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 82959205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).