2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

C14H22F3N3O — CID 79959527

IUPAC2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-10-12(5-7-18-8-9-21-3)11(2)20-13(19-10)4-6-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyVRBXVFDXEBBXGH-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.37
Rot. Bonds8

About 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine

2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 79959527) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID79959527
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1c(C)nc(CCC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-10-12(5-7-18-8-9-21-3)11(2)20-13(19-10)4-6-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyVRBXVFDXEBBXGH-UHFFFAOYSA-N
XLogP2.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.37
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 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine (CID 79959527) is 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1c(C)nc(CCC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is VRBXVFDXEBBXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10-12(5-7-18-8-9-21-3)11(2)20-13(19-10)4-6-14(15,16)17/h18H,4-9H2,1-3H3.
What are the key properties of 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine?
2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 305.34 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-5-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 79959527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).