N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine

C12H18F3N3O2 — CID 106451304

IUPACN-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCCOCC(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-8(2)7-19-4-5-20-10-6-9(12(13,14)15)17-11(16-3)18-10/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyCHSQYOWWTLFABR-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.59
Rot. Bonds7

About N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine

N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 106451304) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID106451304
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCNc1nc(OCCOCC(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N3O2/c1-8(2)7-19-4-5-20-10-6-9(12(13,14)15)17-11(16-3)18-10/h6,8H,4-5,7H2,1-3H3,(H,16,17,18)
InChIKeyCHSQYOWWTLFABR-UHFFFAOYSA-N
XLogP2.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.59
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-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
N-methyl-4-(2,2,2-trifluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566189
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 115586276
N,4-dimethyl-6-(2-methylpropoxy)pyrimidin-2-amine
CID 80860281
4-methoxy-N-methyl-6-[2-(2-methylpropoxy)ethoxy]-1,3,5-triazin-2-amine
CID 106451460
4-N-(1-ethoxypropan-2-yl)-2-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564719
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
[4-(2,2-difluoroethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567822

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine (CID 106451304) is N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine is CNc1nc(OCCOCC(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CHSQYOWWTLFABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8(2)7-19-4-5-20-10-6-9(12(13,14)15)17-11(16-3)18-10/h6,8H,4-5,7H2,1-3H3,(H,16,17,18).
What are the key properties of N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine?
N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 293.29 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2-methylpropoxy)ethoxy]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 106451304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).