5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

C13H15ClF3N5O — CID 167802673

IUPAC5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(Cc1ccnn1C)c1nc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C13H15ClF3N5O/c1-21-9(3-4-19-21)8-22(5-6-23-2)11-10(14)7-18-12(20-11)13(15,16)17/h3-4,7H,5-6,8H2,1-2H3
InChIKeySWKNEWQMHDLUFT-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.54
Rot. Bonds6

About 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine

5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 167802673) has the molecular formula C13H15ClF3N5O and a molecular weight of 349.74 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID167802673
Molecular FormulaC13H15ClF3N5O
Molecular Weight349.74 g/mol
Exact Mass349.09
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCOCCN(Cc1ccnn1C)c1nc(C(F)(F)F)ncc1Cl
InChIInChI=1S/C13H15ClF3N5O/c1-21-9(3-4-19-21)8-22(5-6-23-2)11-10(14)7-18-12(20-11)13(15,16)17/h3-4,7H,5-6,8H2,1-2H3
InChIKeySWKNEWQMHDLUFT-UHFFFAOYSA-N
XLogP2.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1H-pyrazol-1-ylmethyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-oxazepane
CID 72882586
4-[2-(1-ethyl-1H-pyrazol-5-yl)-5-fluoropyrimidin-4-yl]morpholine
CID 121496357
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-morpholino-6-methylpyrimidine
CID 11335968
Ethyl 2-[methyl-[4-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-yl]amino]acetate
CID 23546015
4-[2-(3-Fluoropyrazol-1-yl)-6-methylpyrimidin-4-yl]morpholine
CID 57806055
2-[[3-(Trifluoromethyl)pyrazol-1-yl]methyl]pyrimidine
CID 91028208
2-[1-(2,2,2-Trifluoroethyl)pyrazol-3-yl]pyrimidine
CID 91354283
Ethane;4-(3-methylpyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 144677548
5-Chloro-2-[[2-(3-fluoro-1-methylpyrazol-5-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 170633055
5-Chloro-2-[[2-(3-methylpyrazol-1-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842770
5-Chloro-2-[[2-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842774
5-Chloro-2-[[2-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
CID 176842777

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 167802673) is 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is COCCN(Cc1ccnn1C)c1nc(C(F)(F)F)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is SWKNEWQMHDLUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3N5O/c1-21-9(3-4-19-21)8-22(5-6-23-2)11-10(14)7-18-12(20-11)13(15,16)17/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 349.74 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 167802673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).