4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C10H11F3N6O — CID 106424162

IUPAC4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2cc(N)nc(C(F)(F)F)n2)no1
InChIInChI=1S/C10H11F3N6O/c1-5-16-7(19-20-5)2-3-15-8-4-6(14)17-9(18-8)10(11,12)13/h4H,2-3H2,1H3,(H3,14,15,17,18)
InChIKeyYMFIPZXKDFUCLK-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.42
Rot. Bonds4

About 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106424162) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106424162
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2cc(N)nc(C(F)(F)F)n2)no1
InChIInChI=1S/C10H11F3N6O/c1-5-16-7(19-20-5)2-3-15-8-4-6(14)17-9(18-8)10(11,12)13/h4H,2-3H2,1H3,(H3,14,15,17,18)
InChIKeyYMFIPZXKDFUCLK-UHFFFAOYSA-N
XLogP1.42
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106424162) is 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is Cc1nc(CCNc2cc(N)nc(C(F)(F)F)n2)no1.
What is the InChIKey of 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is YMFIPZXKDFUCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-5-16-7(19-20-5)2-3-15-8-4-6(14)17-9(18-8)10(11,12)13/h4H,2-3H2,1H3,(H3,14,15,17,18).
What are the key properties of 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 288.23 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106424162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).