6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C11H16F3N3O — CID 55262231

IUPAC6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C11H16F3N3O/c1-8(2)9-5-10(17-7-16-9)15-3-4-18-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyJRNNPFFUADBKHV-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.59
Rot. Bonds6

About 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 55262231) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID55262231
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCC(C)c1cc(NCCOCC(F)(F)F)ncn1
InChIInChI=1S/C11H16F3N3O/c1-8(2)9-5-10(17-7-16-9)15-3-4-18-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17)
InChIKeyJRNNPFFUADBKHV-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 55262231) is 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CC(C)c1cc(NCCOCC(F)(F)F)ncn1.
What is the InChIKey of 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is JRNNPFFUADBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8(2)9-5-10(17-7-16-9)15-3-4-18-6-11(12,13)14/h5,7-8H,3-4,6H2,1-2H3,(H,15,16,17).
What are the key properties of 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 263.26 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 55262231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).