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

C14H22F3N3O — CID 62755487

IUPAC2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-9(8-18-5-6-21-4)13-10(2)19-12(20-11(13)3)7-14(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyUBPXIRUCWUQPGD-UHFFFAOYSA-N
MW305.34 g/mol
LogP2.54
Rot. Bonds7

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

2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (PubChem CID 62755487) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
PubChem CID62755487
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine
SMILESCOCCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C
InChIInChI=1S/C14H22F3N3O/c1-9(8-18-5-6-21-4)13-10(2)19-12(20-11(13)3)7-14(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyUBPXIRUCWUQPGD-UHFFFAOYSA-N
XLogP2.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.54
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-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The IUPAC name of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine (CID 62755487) is 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine.
What is the SMILES notation for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The canonical SMILES for 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is COCCNCC(C)c1c(C)nc(CC(F)(F)F)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
The InChIKey is UBPXIRUCWUQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-9(8-18-5-6-21-4)13-10(2)19-12(20-11(13)3)7-14(15,16)17/h9,18H,5-8H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine?
2-[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 2.54, 7 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-(2,2,2-trifluoroethyl)pyrimidin-5-yl]-N-(2-methoxyethyl)propan-1-amine is sourced from PubChem (CID 62755487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).