3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine

C13H20F3N3O — CID 103150794

IUPAC3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CCOCC(F)(F)F)nc(C)c1CCCN
InChIInChI=1S/C13H20F3N3O/c1-9-11(4-3-6-17)10(2)19-12(18-9)5-7-20-8-13(14,15)16/h3-8,17H2,1-2H3
InChIKeyNAMDXMDSCKEELN-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.11
Rot. Bonds7

About 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine

3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine (PubChem CID 103150794) has the molecular formula C13H20F3N3O and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
PubChem CID103150794
Molecular FormulaC13H20F3N3O
Molecular Weight291.32 g/mol
Exact Mass291.16
IUPAC Name3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
SMILESCc1nc(CCOCC(F)(F)F)nc(C)c1CCCN
InChIInChI=1S/C13H20F3N3O/c1-9-11(4-3-6-17)10(2)19-12(18-9)5-7-20-8-13(14,15)16/h3-8,17H2,1-2H3
InChIKeyNAMDXMDSCKEELN-UHFFFAOYSA-N
XLogP2.11
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.11
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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Related Compounds

5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150290
5-ethyl-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150294
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
4-[3-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 103146024
(1R)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]ethanamine
CID 103431732
2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethanamine
CID 62745948
2-[3,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]ethanamine
CID 62730587
[2-(2-ethoxyethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 106815543
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
4-methylsulfanyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103206958
4-chloro-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103213749
2-(2,2,2-trifluoroethoxy)ethanamine
CID 2060297

Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine (CID 103150794) is 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine is Cc1nc(CCOCC(F)(F)F)nc(C)c1CCCN.
What is the InChIKey of 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine?
The InChIKey is NAMDXMDSCKEELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O/c1-9-11(4-3-6-17)10(2)19-12(18-9)5-7-20-8-13(14,15)16/h3-8,17H2,1-2H3.
What are the key properties of 3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine?
3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine has a molecular weight of 291.32 g/mol, XLogP of 2.11, 7 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-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 103150794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).