6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H14ClF3N4O — CID 106768037

IUPAC6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN1CCOC(CNc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H14ClF3N4O/c1-19-2-3-20-7(6-19)5-16-9-4-8(12)17-10(18-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,18)
InChIKeyFBVJMCWPMRNCLF-UHFFFAOYSA-N
MW310.71 g/mol
LogP1.89
Rot. Bonds3

About 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106768037) has the molecular formula C11H14ClF3N4O and a molecular weight of 310.71 g/mol. Its IUPAC name is 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106768037
Molecular FormulaC11H14ClF3N4O
Molecular Weight310.71 g/mol
Exact Mass310.08
IUPAC Name6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN1CCOC(CNc2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H14ClF3N4O/c1-19-2-3-20-7(6-19)5-16-9-4-8(12)17-10(18-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,18)
InChIKeyFBVJMCWPMRNCLF-UHFFFAOYSA-N
XLogP1.89
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775874
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 80545786
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767551
2-tert-butyl-6-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 96653247
N-[[(2R)-4-methylmorpholin-2-yl]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 95160947
6-hydrazinyl-N-[(4-methylmorpholin-2-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80968899
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
4-fluoro-N-[(4-methylmorpholin-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 79171600
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
3,5-difluoro-N-[(4-methylmorpholin-2-yl)methyl]aniline
CID 79171790
2,6-dichloro-1-N-[(4-methylmorpholin-2-yl)methyl]benzene-1,4-diamine
CID 106890563

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106768037) is 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is CN1CCOC(CNc2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FBVJMCWPMRNCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF3N4O/c1-19-2-3-20-7(6-19)5-16-9-4-8(12)17-10(18-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 310.71 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-methylmorpholin-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106768037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).