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

C10H10F3N5O — CID 155941718

IUPAC2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c1-5-15-7(10(11,12)13)3-8(16-5)14-4-9-18-17-6(2)19-9/h3H,4H2,1-2H3,(H,14,15,16)
InChIKeyMJTULORKAVGMMS-UHFFFAOYSA-N
MW273.22 g/mol
LogP2.11
Rot. Bonds3

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

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 155941718) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID155941718
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(NCc2nnc(C)o2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5O/c1-5-15-7(10(11,12)13)3-8(16-5)14-4-9-18-17-6(2)19-9/h3H,4H2,1-2H3,(H,14,15,16)
InChIKeyMJTULORKAVGMMS-UHFFFAOYSA-N
XLogP2.11
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 155941718) is 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(NCc2nnc(C)o2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MJTULORKAVGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c1-5-15-7(10(11,12)13)3-8(16-5)14-4-9-18-17-6(2)19-9/h3H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 273.22 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 155941718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).