N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

C11H16F3N3O — CID 115586276

IUPACN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)COCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-8(2)7-18-6-5-16-10-15-4-3-9(17-10)11(12,13)14/h3-4,8H,5-7H2,1-2H3,(H,15,16,17)
InChIKeySIQPQARDTJKUES-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 115586276) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID115586276
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCC(C)COCCNc1nccc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-8(2)7-18-6-5-16-10-15-4-3-9(17-10)11(12,13)14/h3-4,8H,5-7H2,1-2H3,(H,15,16,17)
InChIKeySIQPQARDTJKUES-UHFFFAOYSA-N
XLogP2.58
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.58
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

4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethoxy]acetamide
CID 103766936
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 115680860
2-chloro-N-[2-(2-methylpropoxy)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562937
N-(4-chlorobutyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106845038
1-ethyl-3-(1-methoxypropan-2-yl)-2-[2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]guanidine;hydroiodide
CID 111773979
2-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 104683281
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
N'-(1-thiophen-2-ylethyl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 75428259
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
N-(1-chloro-4-methylpentan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 65029180

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 115586276) is N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is CC(C)COCCNc1nccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is SIQPQARDTJKUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8(2)7-18-6-5-16-10-15-4-3-9(17-10)11(12,13)14/h3-4,8H,5-7H2,1-2H3,(H,15,16,17).
What are the key properties of N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropoxy)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 115586276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).