4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine

C11H13ClF3N3O — CID 106767908

IUPAC4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3O/c1-19-6-7-2-3-18(5-7)9-4-8(12)16-10(17-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3
InChIKeyZRSZCHXCOJIYNS-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.62
Rot. Bonds3

About 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine

4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 106767908) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID106767908
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESCOCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13ClF3N3O/c1-19-6-7-2-3-18(5-7)9-4-8(12)16-10(17-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3
InChIKeyZRSZCHXCOJIYNS-UHFFFAOYSA-N
XLogP2.62
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 106767908) is 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine is COCC1CCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is ZRSZCHXCOJIYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-19-6-7-2-3-18(5-7)9-4-8(12)16-10(17-9)11(13,14)15/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine?
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 295.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106767908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).