N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H16F3N3O3 — CID 63826413

IUPACN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ncnc(OC)c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O3/c1-18-9-8(10(19-2)17-7-16-9)5-15-3-4-20-6-11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyIRRGJYMHFHOBPF-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.16
Rot. Bonds8

About N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 63826413) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID63826413
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC NameN-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOc1ncnc(OC)c1CNCCOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O3/c1-18-9-8(10(19-2)17-7-16-9)5-15-3-4-20-6-11(12,13)14/h7,15H,3-6H2,1-2H3
InChIKeyIRRGJYMHFHOBPF-UHFFFAOYSA-N
XLogP1.16
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethoxy-5-trifluoromethylpyrimidine
CID 118484820
1-(4,6-dimethoxypyrimidin-5-yl)-N-methylmethanamine
CID 43552092
N-ethyl-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165142
4-Methoxy-5-methyl-6-(2,2,2-trifluoroethoxy)pyrimidine;methylcyclopropane
CID 143519467
5-(Difluoromethoxymethyl)-4-methoxypyrimidin-2-amine
CID 164908279
4-(difluoromethoxy)-6-methoxy-N-methylpyrimidine-5-carbothioamide
CID 171547875
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2,2,2-trifluoroethanamine
CID 43552097
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63225939
6-methoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326659
6-ethoxy-5-methyl-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 66326660
6-methoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326871
6-ethoxy-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 66326872

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 63826413) is N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is COc1ncnc(OC)c1CNCCOCC(F)(F)F.
What is the InChIKey of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is IRRGJYMHFHOBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-18-9-8(10(19-2)17-7-16-9)5-15-3-4-20-6-11(12,13)14/h7,15H,3-6H2,1-2H3.
What are the key properties of N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 295.26 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 63826413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).