4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3O2 — CID 114566221

IUPAC4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(OCCOC)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18-2/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyWRXHIHQCRAGGSE-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.34
Rot. Bonds7

About 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine

4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566221) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566221
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCCNc1nc(OCCOC)cc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O2/c1-3-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18-2/h7H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyWRXHIHQCRAGGSE-UHFFFAOYSA-N
XLogP2.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.34
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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Related Compounds

4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-(2-methylbutan-2-yloxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566168
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
4-(3-methoxypropylsulfanyl)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566851
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
2-(2-methoxyethoxy)-6-(trifluoromethyl)pyridin-4-amine
CID 145361055
4-[2-(3-methoxypropoxy)ethoxy]-6-methyl-N-propylpyrimidin-2-amine
CID 103176485
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 102741368
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
CID 106451304
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566221) is 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is CCCNc1nc(OCCOC)cc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is WRXHIHQCRAGGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-3-4-15-10-16-8(11(12,13)14)7-9(17-10)19-6-5-18-2/h7H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 279.26 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).