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

C14H17F3N6O — CID 126887681

IUPAC6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C14H17F3N6O/c1-9-6-11(19-8-18-9)20-10-2-4-23(5-3-10)7-12-21-22-13(24-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyDWFAOAKYVQJTOV-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.26
Rot. Bonds4

About 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine

6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887681) has the molecular formula C14H17F3N6O and a molecular weight of 342.33 g/mol. Its IUPAC name is 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887681
Molecular FormulaC14H17F3N6O
Molecular Weight342.33 g/mol
Exact Mass342.14
IUPAC Name6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1
InChIInChI=1S/C14H17F3N6O/c1-9-6-11(19-8-18-9)20-10-2-4-23(5-3-10)7-12-21-22-13(24-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,18,19,20)
InChIKeyDWFAOAKYVQJTOV-UHFFFAOYSA-N
XLogP2.26
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine (CID 126887681) is 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(Cc3nnc(C(F)(F)F)o3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is DWFAOAKYVQJTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O/c1-9-6-11(19-8-18-9)20-10-2-4-23(5-3-10)7-12-21-22-13(24-12)14(15,16)17/h6,8,10H,2-5,7H2,1H3,(H,18,19,20).
What are the key properties of 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 342.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).