2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine

C10H15F3N4O — CID 64830083

IUPAC2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17(2)9-15-4-3-8(16-9)14-5-6-18-7-10(11,12)13/h3-4H,5-7H2,1-2H3,(H,14,15,16)
InChIKeyMTXIGPOPUWTQPJ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.53
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine (PubChem CID 64830083) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
PubChem CID64830083
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCOCC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-17(2)9-15-4-3-8(16-9)14-5-6-18-7-10(11,12)13/h3-4H,5-7H2,1-2H3,(H,14,15,16)
InChIKeyMTXIGPOPUWTQPJ-UHFFFAOYSA-N
XLogP1.53
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine (CID 64830083) is 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine is CN(C)c1nccc(NCCOCC(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
The InChIKey is MTXIGPOPUWTQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-17(2)9-15-4-3-8(16-9)14-5-6-18-7-10(11,12)13/h3-4H,5-7H2,1-2H3,(H,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 64830083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).