6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine

C9H13F3N4O — CID 106774322

IUPAC6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)CCOc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-16(2)3-4-17-7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyRVPFTUOWKNTEOP-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.02
Rot. Bonds4

About 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine

6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106774322) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106774322
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)CCOc1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O/c1-16(2)3-4-17-7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyRVPFTUOWKNTEOP-UHFFFAOYSA-N
XLogP1.02
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]oxy-N,N-dimethylethanamine
CID 106766758
6-(2-pyrrolidin-1-ylethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774343
2-(2,6-difluoropyrimidin-4-yl)oxy-N,N-dimethylethanamine
CID 118936856
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
6-[3-(dimethylamino)propoxy]-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774344
2-chloro-6-[2-(dimethylamino)ethoxy]pyridin-4-amine
CID 71302501
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
6-[(3-methoxyphenyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773577
6-(oxan-4-ylmethoxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774501
6-[2-[cyclopropyl(methyl)amino]ethoxy]pyrimidine-2,4-diamine
CID 102741225
4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772544
6-[2-(dimethylamino)ethoxy]-4-N-methylpyrimidine-2,4-diamine
CID 46705525

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106774322) is 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is CN(C)CCOc1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is RVPFTUOWKNTEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-16(2)3-4-17-7-5-6(13)14-8(15-7)9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 250.22 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106774322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).