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

C17H12F3N7O2S — CID 153338005

IUPAC2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine
SMILESCOc1nccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)n1
InChIInChI=1S/C17H12F3N7O2S/c1-28-16-23-5-4-12(24-16)27(13-8-21-6-7-22-13)9-10-2-3-11(30-10)14-25-15(29-26-14)17(18,19)20/h2-8H,9H2,1H3
InChIKeyKVMWPQRROLPANJ-UHFFFAOYSA-N
MW435.39 g/mol
LogP3.74
Rot. Bonds6

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

2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine (PubChem CID 153338005) has the molecular formula C17H12F3N7O2S and a molecular weight of 435.39 g/mol. Its IUPAC name is 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine
PubChem CID153338005
Molecular FormulaC17H12F3N7O2S
Molecular Weight435.39 g/mol
Exact Mass435.07
IUPAC Name2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine
SMILESCOc1nccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)n1
InChIInChI=1S/C17H12F3N7O2S/c1-28-16-23-5-4-12(24-16)27(13-8-21-6-7-22-13)9-10-2-3-11(30-10)14-25-15(29-26-14)17(18,19)20/h2-8H,9H2,1H3
InChIKeyKVMWPQRROLPANJ-UHFFFAOYSA-N
XLogP3.74
TPSA102.95 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine (CID 153338005) is 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine is COc1nccc(N(Cc2ccc(-c3noc(C(F)(F)F)n3)s2)c2cnccn2)n1.
What is the InChIKey of 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine?
The InChIKey is KVMWPQRROLPANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2S/c1-28-16-23-5-4-12(24-16)27(13-8-21-6-7-22-13)9-10-2-3-11(30-10)14-25-15(29-26-14)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine?
2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine has a molecular weight of 435.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-pyrazin-2-yl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 153338005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).