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

C11H14F3N3 — CID 83851206

IUPAC2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(CC2CCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3/c1-7-16-9(4-8-2-3-15-6-8)5-10(17-7)11(12,13)14/h5,8,15H,2-4,6H2,1H3
InChIKeyDYBWIRLXAXCOPK-UHFFFAOYSA-N
MW245.25 g/mol
LogP1.96
Rot. Bonds2

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

2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine (PubChem CID 83851206) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
PubChem CID83851206
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine
SMILESCc1nc(CC2CCNC2)cc(C(F)(F)F)n1
InChIInChI=1S/C11H14F3N3/c1-7-16-9(4-8-2-3-15-6-8)5-10(17-7)11(12,13)14/h5,8,15H,2-4,6H2,1H3
InChIKeyDYBWIRLXAXCOPK-UHFFFAOYSA-N
XLogP1.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine (CID 83851206) is 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine is Cc1nc(CC2CCNC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is DYBWIRLXAXCOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7-16-9(4-8-2-3-15-6-8)5-10(17-7)11(12,13)14/h5,8,15H,2-4,6H2,1H3.
What are the key properties of 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine?
2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 83851206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).