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

C15H10F3N9O — CID 71571011

IUPAC4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(CNc3nccc(-c4ccn[nH]4)n3)nc2)no1
InChIInChI=1S/C15H10F3N9O/c16-15(17,18)13-25-12(27-28-13)8-5-20-11(21-6-8)7-22-14-19-3-1-9(24-14)10-2-4-23-26-10/h1-6H,7H2,(H,23,26)(H,19,22,24)
InChIKeyDCJDMOSYDPGPDF-UHFFFAOYSA-N
MW389.30 g/mol
LogP2.34
Rot. Bonds5

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

4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine (PubChem CID 71571011) has the molecular formula C15H10F3N9O and a molecular weight of 389.30 g/mol. Its IUPAC name is 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine
PubChem CID71571011
Molecular FormulaC15H10F3N9O
Molecular Weight389.30 g/mol
Exact Mass389.10
IUPAC Name4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine
SMILESFC(F)(F)c1nc(-c2cnc(CNc3nccc(-c4ccn[nH]4)n3)nc2)no1
InChIInChI=1S/C15H10F3N9O/c16-15(17,18)13-25-12(27-28-13)8-5-20-11(21-6-8)7-22-14-19-3-1-9(24-14)10-2-4-23-26-10/h1-6H,7H2,(H,23,26)(H,19,22,24)
InChIKeyDCJDMOSYDPGPDF-UHFFFAOYSA-N
XLogP2.34
TPSA131.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine (CID 71571011) is 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine is FC(F)(F)c1nc(-c2cnc(CNc3nccc(-c4ccn[nH]4)n3)nc2)no1.
What is the InChIKey of 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is DCJDMOSYDPGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N9O/c16-15(17,18)13-25-12(27-28-13)8-5-20-11(21-6-8)7-22-14-19-3-1-9(24-14)10-2-4-23-26-10/h1-6H,7H2,(H,23,26)(H,19,22,24).
What are the key properties of 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine?
4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 389.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-5-yl)-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 71571011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).