4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

C15H16F3N5 — CID 167798581

IUPAC4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1
InChIInChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyJCXHXGMKAKWELG-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.33
Rot. Bonds2

About 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine

4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 167798581) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID167798581
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC Name4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESCc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1
InChIInChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3
InChIKeyJCXHXGMKAKWELG-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 167798581) is 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is Cc1cc(C(F)(F)F)nc(N2CCCCC2c2ncccn2)n1.
What is the InChIKey of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is JCXHXGMKAKWELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c1-10-9-12(15(16,17)18)22-14(21-10)23-8-3-2-5-11(23)13-19-6-4-7-20-13/h4,6-7,9,11H,2-3,5,8H2,1H3.
What are the key properties of 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 323.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-pyrimidin-2-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 167798581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).