6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

C14H22F3N3O — CID 106773634

IUPAC6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCCC(CC)COc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O/c1-4-6-7-10(5-2)9-21-12-8-11(18-3)19-13(20-12)14(15,16)17/h8,10H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyRWCYPFGEZNPJRY-UHFFFAOYSA-N
MW305.34 g/mol
LogP4.13
Rot. Bonds8

About 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine

6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106773634) has the molecular formula C14H22F3N3O and a molecular weight of 305.34 g/mol. Its IUPAC name is 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106773634
Molecular FormulaC14H22F3N3O
Molecular Weight305.34 g/mol
Exact Mass305.17
IUPAC Name6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCCCCC(CC)COc1cc(NC)nc(C(F)(F)F)n1
InChIInChI=1S/C14H22F3N3O/c1-4-6-7-10(5-2)9-21-12-8-11(18-3)19-13(20-12)14(15,16)17/h8,10H,4-7,9H2,1-3H3,(H,18,19,20)
InChIKeyRWCYPFGEZNPJRY-UHFFFAOYSA-N
XLogP4.13
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylhexoxy)-N,6-dimethylpyrimidin-2-amine
CID 80861413
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774661
6-(2-ethylbutoxy)-N-methyl-2-propylpyrimidin-4-amine
CID 114208764
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
6-(2-ethylhexoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966278
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
N-ethyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773688
2-(2-ethylhexoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876034
[4-(2-ethylhexoxy)-3-(trifluoromethyl)phenyl]methanamine
CID 63484790
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
4-chloro-6-(2-ethylhexoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80861510

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106773634) is 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CCCCC(CC)COc1cc(NC)nc(C(F)(F)F)n1.
What is the InChIKey of 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RWCYPFGEZNPJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O/c1-4-6-7-10(5-2)9-21-12-8-11(18-3)19-13(20-12)14(15,16)17/h8,10H,4-7,9H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.34 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylhexoxy)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106773634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).