5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine

C16H16ClF3N4 — CID 2745954

IUPAC5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
SMILESCc1nc(-c2ccc(C(F)(F)F)cn2)nc(N2CCCCC2)c1Cl
InChIInChI=1S/C16H16ClF3N4/c1-10-13(17)15(24-7-3-2-4-8-24)23-14(22-10)12-6-5-11(9-21-12)16(18,19)20/h5-6,9H,2-4,7-8H2,1H3
InChIKeySMUHKWSZHFUWEN-UHFFFAOYSA-N
MW356.78 g/mol
LogP4.51
Rot. Bonds2

About 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine

5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine (PubChem CID 2745954) has the molecular formula C16H16ClF3N4 and a molecular weight of 356.78 g/mol. Its IUPAC name is 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
PubChem CID2745954
Molecular FormulaC16H16ClF3N4
Molecular Weight356.78 g/mol
Exact Mass356.10
IUPAC Name5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine
SMILESCc1nc(-c2ccc(C(F)(F)F)cn2)nc(N2CCCCC2)c1Cl
InChIInChI=1S/C16H16ClF3N4/c1-10-13(17)15(24-7-3-2-4-8-24)23-14(22-10)12-6-5-11(9-21-12)16(18,19)20/h5-6,9H,2-4,7-8H2,1H3
InChIKeySMUHKWSZHFUWEN-UHFFFAOYSA-N
XLogP4.51
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.78
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The IUPAC name of 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine (CID 2745954) is 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The canonical SMILES for 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine is Cc1nc(-c2ccc(C(F)(F)F)cn2)nc(N2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine?
The InChIKey is SMUHKWSZHFUWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4/c1-10-13(17)15(24-7-3-2-4-8-24)23-14(22-10)12-6-5-11(9-21-12)16(18,19)20/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine?
5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine has a molecular weight of 356.78 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-6-piperidin-1-yl-2-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 2745954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).