4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C11H13ClF3N3 — CID 62923248

IUPAC4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13ClF3N3/c1-7-16-9(12)5-10(17-7)18-4-2-3-8(6-18)11(13,14)15/h5,8H,2-4,6H2,1H3
InChIKeyBCRBRNAIOGQZMV-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.22
Rot. Bonds1

About 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 62923248) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID62923248
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESCc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1
InChIInChI=1S/C11H13ClF3N3/c1-7-16-9(12)5-10(17-7)18-4-2-3-8(6-18)11(13,14)15/h5,8H,2-4,6H2,1H3
InChIKeyBCRBRNAIOGQZMV-UHFFFAOYSA-N
XLogP3.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 62923248) is 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is Cc1nc(Cl)cc(N2CCCC(C(F)(F)F)C2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is BCRBRNAIOGQZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c1-7-16-9(12)5-10(17-7)18-4-2-3-8(6-18)11(13,14)15/h5,8H,2-4,6H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 279.69 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 62923248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).