4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine

C11H14F3N3O — CID 82666014

IUPAC4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(CC2CCNC2)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-5-8(11(12,13)14)16-9(17-10)4-7-2-3-15-6-7/h5,7,15H,2-4,6H2,1H3
InChIKeyCJBOMLQEDCQTEA-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.66
Rot. Bonds3

About 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine

4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 82666014) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
PubChem CID82666014
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
SMILESCOc1cc(C(F)(F)F)nc(CC2CCNC2)n1
InChIInChI=1S/C11H14F3N3O/c1-18-10-5-8(11(12,13)14)16-9(17-10)4-7-2-3-15-6-7/h5,7,15H,2-4,6H2,1H3
InChIKeyCJBOMLQEDCQTEA-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine (CID 82666014) is 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine is COc1cc(C(F)(F)F)nc(CC2CCNC2)n1.
What is the InChIKey of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is CJBOMLQEDCQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-18-10-5-8(11(12,13)14)16-9(17-10)4-7-2-3-15-6-7/h5,7,15H,2-4,6H2,1H3.
What are the key properties of 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 261.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 82666014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).