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

C9H8F3N5O — CID 64584882

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc(CNc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H8F3N5O/c1-5-15-7(18-17-5)4-14-8-13-3-2-6(16-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,16)
InChIKeyLPTBHZQQKLPLET-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.80
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 64584882) has the molecular formula C9H8F3N5O and a molecular weight of 259.19 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID64584882
Molecular FormulaC9H8F3N5O
Molecular Weight259.19 g/mol
Exact Mass259.07
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1noc(CNc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C9H8F3N5O/c1-5-15-7(18-17-5)4-14-8-13-3-2-6(16-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,16)
InChIKeyLPTBHZQQKLPLET-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 64584882) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1noc(CNc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is LPTBHZQQKLPLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5O/c1-5-15-7(18-17-5)4-14-8-13-3-2-6(16-8)9(10,11)12/h2-3H,4H2,1H3,(H,13,14,16).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 64584882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).