5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine

C14H16ClF3N6O — CID 163352702

IUPAC5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H16ClF3N6O/c1-23(13-19-6-9(15)7-20-13)10-2-4-24(5-3-10)8-11-21-22-12(25-11)14(16,17)18/h6-7,10H,2-5,8H2,1H3
InChIKeyAJHUKSSJESVISU-UHFFFAOYSA-N
MW376.77 g/mol
LogP2.63
Rot. Bonds4

About 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (PubChem CID 163352702) has the molecular formula C14H16ClF3N6O and a molecular weight of 376.77 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
PubChem CID163352702
Molecular FormulaC14H16ClF3N6O
Molecular Weight376.77 g/mol
Exact Mass376.10
IUPAC Name5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C14H16ClF3N6O/c1-23(13-19-6-9(15)7-20-13)10-2-4-24(5-3-10)8-11-21-22-12(25-11)14(16,17)18/h6-7,10H,2-5,8H2,1H3
InChIKeyAJHUKSSJESVISU-UHFFFAOYSA-N
XLogP2.63
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.77
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine (CID 163352702) is 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(Cc2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is AJHUKSSJESVISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N6O/c1-23(13-19-6-9(15)7-20-13)10-2-4-24(5-3-10)8-11-21-22-12(25-11)14(16,17)18/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 376.77 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163352702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).