5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

C16H16ClF4N5 — CID 163344044

IUPAC5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C16H16ClF4N5/c1-25(15-23-8-11(17)9-24-15)12-2-4-26(5-3-12)14-13(18)6-10(7-22-14)16(19,20)21/h6-9,12H,2-5H2,1H3
InChIKeyDUEZWMBMTKMMCD-UHFFFAOYSA-N
MW389.78 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine

5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 163344044) has the molecular formula C16H16ClF4N5 and a molecular weight of 389.78 g/mol. Its IUPAC name is 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
PubChem CID163344044
Molecular FormulaC16H16ClF4N5
Molecular Weight389.78 g/mol
Exact Mass389.10
IUPAC Name5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1
InChIInChI=1S/C16H16ClF4N5/c1-25(15-23-8-11(17)9-24-15)12-2-4-26(5-3-12)14-13(18)6-10(7-22-14)16(19,20)21/h6-9,12H,2-5H2,1H3
InChIKeyDUEZWMBMTKMMCD-UHFFFAOYSA-N
XLogP3.79
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine (CID 163344044) is 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(c2ncc(C(F)(F)F)cc2F)CC1.
What is the InChIKey of 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is DUEZWMBMTKMMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF4N5/c1-25(15-23-8-11(17)9-24-15)12-2-4-26(5-3-12)14-13(18)6-10(7-22-14)16(19,20)21/h6-9,12H,2-5H2,1H3.
What are the key properties of 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine?
5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 389.78 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 163344044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).