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

C12H18F3N3O — CID 103150328

IUPACN-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C12H18F3N3O/c1-4-16-11-8(2)9(3)17-10(18-11)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyGTAQZYMTSCIEQH-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.65
Rot. Bonds6

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

N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (PubChem CID 103150328) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
PubChem CID103150328
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
SMILESCCNc1nc(CCOCC(F)(F)F)nc(C)c1C
InChIInChI=1S/C12H18F3N3O/c1-4-16-11-8(2)9(3)17-10(18-11)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18)
InChIKeyGTAQZYMTSCIEQH-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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 N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine (CID 103150328) is N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is CCNc1nc(CCOCC(F)(F)F)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
The InChIKey is GTAQZYMTSCIEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-16-11-8(2)9(3)17-10(18-11)5-6-19-7-12(13,14)15/h4-7H2,1-3H3,(H,16,17,18).
What are the key properties of N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 103150328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).