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

C14H11F3N6O — CID 71576964

IUPACN-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H11F3N6O/c1-23(8-9-2-4-18-5-3-9)13-19-6-10(7-20-13)11-21-12(24-22-11)14(15,16)17/h2-7H,8H2,1H3
InChIKeyLVHJLBFBNPSVRM-UHFFFAOYSA-N
MW336.28 g/mol
LogP2.58
Rot. Bonds4

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

N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (PubChem CID 71576964) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
PubChem CID71576964
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine
SMILESCN(Cc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1
InChIInChI=1S/C14H11F3N6O/c1-23(8-9-2-4-18-5-3-9)13-19-6-10(7-20-13)11-21-12(24-22-11)14(15,16)17/h2-7H,8H2,1H3
InChIKeyLVHJLBFBNPSVRM-UHFFFAOYSA-N
XLogP2.58
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine (CID 71576964) is N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is CN(Cc1ccncc1)c1ncc(-c2noc(C(F)(F)F)n2)cn1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
The InChIKey is LVHJLBFBNPSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-23(8-9-2-4-18-5-3-9)13-19-6-10(7-20-13)11-21-12(24-22-11)14(15,16)17/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine?
N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine has a molecular weight of 336.28 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71576964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).