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

C14H11F3N6O — CID 71577044

IUPACN-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCc1cccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cn2)n1
InChIInChI=1S/C14H11F3N6O/c1-8-3-2-4-10(21-8)7-20-13-18-5-9(6-19-13)11-22-12(24-23-11)14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyBMZBCRXOQLRHKH-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.86
Rot. Bonds4

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

N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71577044) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71577044
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCc1cccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cn2)n1
InChIInChI=1S/C14H11F3N6O/c1-8-3-2-4-10(21-8)7-20-13-18-5-9(6-19-13)11-22-12(24-23-11)14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20)
InChIKeyBMZBCRXOQLRHKH-UHFFFAOYSA-N
XLogP2.86
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71577044) is N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is Cc1cccc(CNc2ncc(-c3noc(C(F)(F)F)n3)cn2)n1.
What is the InChIKey of N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is BMZBCRXOQLRHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-8-3-2-4-10(21-8)7-20-13-18-5-9(6-19-13)11-22-12(24-23-11)14(15,16)17/h2-6H,7H2,1H3,(H,18,19,20).
What are the key properties of N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-pyridinyl)methyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71577044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).