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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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).