6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H11F3N6O — CID 106412142

IUPAC6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ncno2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6O/c1-14-6-4-7(19-9(18-6)10(11,12)13)15-3-2-8-16-5-17-20-8/h4-5H,2-3H2,1H3,(H2,14,15,18,19)
InChIKeyPTJSOVYXGRYTLX-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.57
Rot. Bonds5

About 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106412142) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106412142
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCCc2ncno2)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11F3N6O/c1-14-6-4-7(19-9(18-6)10(11,12)13)15-3-2-8-16-5-17-20-8/h4-5H,2-3H2,1H3,(H2,14,15,18,19)
InChIKeyPTJSOVYXGRYTLX-UHFFFAOYSA-N
XLogP1.57
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106412142) is 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCCc2ncno2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is PTJSOVYXGRYTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-14-6-4-7(19-9(18-6)10(11,12)13)15-3-2-8-16-5-17-20-8/h4-5H,2-3H2,1H3,(H2,14,15,18,19).
What are the key properties of 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.23 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106412142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).