4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine

C16H17F3N4 — CID 71853934

IUPAC4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
SMILESCC1CCC(C)N1c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C16H17F3N4/c1-10-3-4-11(2)23(10)14-9-13(16(17,18)19)21-15(22-14)12-5-7-20-8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXDQIXBFXXDOHQQ-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.93
Rot. Bonds2

About 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine

4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 71853934) has the molecular formula C16H17F3N4 and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
PubChem CID71853934
Molecular FormulaC16H17F3N4
Molecular Weight322.33 g/mol
Exact Mass322.14
IUPAC Name4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
SMILESCC1CCC(C)N1c1cc(C(F)(F)F)nc(-c2ccncc2)n1
InChIInChI=1S/C16H17F3N4/c1-10-3-4-11(2)23(10)14-9-13(16(17,18)19)21-15(22-14)12-5-7-20-8-6-12/h5-11H,3-4H2,1-2H3
InChIKeyXDQIXBFXXDOHQQ-UHFFFAOYSA-N
XLogP3.93
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine (CID 71853934) is 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine is CC1CCC(C)N1c1cc(C(F)(F)F)nc(-c2ccncc2)n1.
What is the InChIKey of 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is XDQIXBFXXDOHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4/c1-10-3-4-11(2)23(10)14-9-13(16(17,18)19)21-15(22-14)12-5-7-20-8-6-12/h5-11H,3-4H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine?
4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 322.33 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrolidin-1-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71853934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).