4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine

C15H16F3N5 — CID 95827751

IUPAC4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc([C@H]2CCCN2c2ccnc(C)n2)n1
InChIInChI=1S/C15H16F3N5/c1-9-8-12(15(16,17)18)22-14(20-9)11-4-3-7-23(11)13-5-6-19-10(2)21-13/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1
InChIKeyXKFBCDFZYPPIEG-LLVKDONJSA-N
MW323.32 g/mol
LogP3.24
Rot. Bonds2

About 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine

4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine (PubChem CID 95827751) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine
PubChem CID95827751
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc([C@H]2CCCN2c2ccnc(C)n2)n1
InChIInChI=1S/C15H16F3N5/c1-9-8-12(15(16,17)18)22-14(20-9)11-4-3-7-23(11)13-5-6-19-10(2)21-13/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1
InChIKeyXKFBCDFZYPPIEG-LLVKDONJSA-N
XLogP3.24
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine (CID 95827751) is 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc([C@H]2CCCN2c2ccnc(C)n2)n1.
What is the InChIKey of 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine?
The InChIKey is XKFBCDFZYPPIEG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-9-8-12(15(16,17)18)22-14(20-9)11-4-3-7-23(11)13-5-6-19-10(2)21-13/h5-6,8,11H,3-4,7H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine?
4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 95827751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).