3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine

C14H22F3N3O — CID 62745270

IUPAC3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-10-12(5-4-6-18-7-8-21-3)11(2)20-13(19-10)9-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyARCAZAPJVJKLAI-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.37
Rot. Bonds8

About 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine

3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62745270) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID62745270
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCCCc1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-10-12(5-4-6-18-7-8-21-3)11(2)20-13(19-10)9-14(15,16)17/h18H,4-9H2,1-3H3
InChIKeyARCAZAPJVJKLAI-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 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (CID 62745270) is 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCCCc1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is ARCAZAPJVJKLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-10-12(5-4-6-18-7-8-21-3)11(2)20-13(19-10)9-14(15,16)17/h18H,4-9H2,1-3H3.
What are the key properties of 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine 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 3-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62745270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).