4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine

C15H14ClF3N4O — CID 133446164

IUPAC4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C15H14ClF3N4O/c1-9-21-12(16)6-13(22-9)23-5-4-11(8-23)24-14-3-2-10(7-20-14)15(17,18)19/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyNRBGNKSRSDXUAS-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine

4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine (PubChem CID 133446164) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
PubChem CID133446164
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC Name4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)n1
InChIInChI=1S/C15H14ClF3N4O/c1-9-21-12(16)6-13(22-9)23-5-4-11(8-23)24-14-3-2-10(7-20-14)15(17,18)19/h2-3,6-7,11H,4-5,8H2,1H3
InChIKeyNRBGNKSRSDXUAS-UHFFFAOYSA-N
XLogP3.51
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-Chloro-6-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
CID 135153922
3-[2-[[(1S)-1-[5-chloro-6-(2,2,2-trifluoroethoxy)pyridin-3-yl]ethyl]amino]pyrimidin-4-yl]-4,4,5-trimethyl-1,3-oxazolidin-2-one
CID 89489892
4-(Pyridin-3-ylmethoxy)-6-pyrrolidin-1-ylpyrimidine
CID 172433246
5-chloro-6-(difluoromethyl)-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)pyrimidin-4-amine
CID 162513911
5-chloro-6-(difluoromethyl)-2-methyl-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)pyrimidin-4-amine
CID 162513935
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)-6-(difluoromethyl)pyrimidin-4-amine
CID 162513938
5-chloro-N-(3-((5-(trifluoromethyl)pyridin-2-yl)oxy)propyl)-6-ethylpyrimidin-4-amine
CID 162513946
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-2,6-dimethylpyrimidin-4-amine
CID 162513949
5-chloro-N-(2-((5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-ethyl-2-methylpyrimidin-4-amine
CID 162513962
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-ethylpyrimidin-4-amine
CID 162513968
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-(1-chloroethyl)pyrimidin-4-amine
CID 162513980
5-chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)-6-ethyl-2-methylpyrimidin-4-amine
CID 162513983

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine (CID 133446164) is 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCC(Oc3ccc(C(F)(F)F)cn3)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
The InChIKey is NRBGNKSRSDXUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-9-21-12(16)6-13(22-9)23-5-4-11(8-23)24-14-3-2-10(7-20-14)15(17,18)19/h2-3,6-7,11H,4-5,8H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine has a molecular weight of 358.75 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 133446164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).