5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

C12H18F3N3O — CID 103150290

IUPAC5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(CCOCC(F)(F)F)nc1NC
InChIInChI=1S/C12H18F3N3O/c1-4-9-8(2)17-10(18-11(9)16-3)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyPULKHLCPJCGJOQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.51
Rot. Bonds6

About 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine

5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150290) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150290
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCc1c(C)nc(CCOCC(F)(F)F)nc1NC
InChIInChI=1S/C12H18F3N3O/c1-4-9-8(2)17-10(18-11(9)16-3)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyPULKHLCPJCGJOQ-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.51
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-6-methyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150294
3-[4,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-5-yl]propan-1-amine
CID 103150794
2-butyl-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 79412709
N,5-diethyl-6-methyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79964245
2-[2-(2,2-difluoroethoxy)ethyl]-N,5-diethyl-6-methylpyrimidin-4-amine
CID 103150291
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 103150293
5-ethyl-N,6-dimethyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693840
5-ethyl-N,6-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 62191080
N,5-diethyl-6-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 62191430
N-ethyl-6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 103150288
5-ethyl-2-[(4-fluorophenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 62191963
5-fluoro-N,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79963994

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150290) is 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCc1c(C)nc(CCOCC(F)(F)F)nc1NC.
What is the InChIKey of 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is PULKHLCPJCGJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-9-8(2)17-10(18-11(9)16-3)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).