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

C9H8F3N5O — CID 155823144

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc(CNc2cc(C(F)(F)F)ncn2)o1
InChIInChI=1S/C9H8F3N5O/c1-5-16-17-8(18-5)3-13-7-2-6(9(10,11)12)14-4-15-7/h2,4H,3H2,1H3,(H,13,14,15)
InChIKeyYZFDDNKROBNCCH-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.80
Rot. Bonds3

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 155823144) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID155823144
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nnc(CNc2cc(C(F)(F)F)ncn2)o1
InChIInChI=1S/C9H8F3N5O/c1-5-16-17-8(18-5)3-13-7-2-6(9(10,11)12)14-4-15-7/h2,4H,3H2,1H3,(H,13,14,15)
InChIKeyYZFDDNKROBNCCH-UHFFFAOYSA-N
XLogP1.80
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 155823144) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nnc(CNc2cc(C(F)(F)F)ncn2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YZFDDNKROBNCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-5-16-17-8(18-5)3-13-7-2-6(9(10,11)12)14-4-15-7/h2,4H,3H2,1H3,(H,13,14,15).
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 259.19 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 155823144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).