4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

C13H19F3N4O — CID 102741368

IUPAC4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(OCCN(C)C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)8-11(19-12)21-7-6-20(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCBUUAJXMTKCTKQ-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.40
Rot. Bonds7

About 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine

4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 102741368) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID102741368
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(OCCN(C)C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)8-11(19-12)21-7-6-20(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,17,18,19)
InChIKeyCBUUAJXMTKCTKQ-UHFFFAOYSA-N
XLogP2.40
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-2-(methoxymethyl)pyrimidin-4-amine
CID 102741196
4-N-cyclopentyl-2-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563838
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
4-(2-methoxyethoxy)-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566221
6-[2-[cyclopropyl(methyl)amino]ethoxy]-N,2-dipropylpyrimidin-4-amine
CID 102741401
N-[2-[[6-ethyl-4-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740671
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
4-(2-ethoxyethoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566199
4-N-(cyclobutylmethyl)-2-N,4-N-diethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403023
N-[2-[[6-ethyl-4-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740562

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine (CID 102741368) is 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(OCCN(C)C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is CBUUAJXMTKCTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-17-12-18-10(13(14,15)16)8-11(19-12)21-7-6-20(2)9-4-5-9/h8-9H,3-7H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine?
4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 304.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(methyl)amino]ethoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 102741368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).