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

C12H11F2N7O — CID 162351190

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine
SMILESCCn1nccc1Nc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C12H11F2N7O/c1-2-21-8(3-4-17-21)18-12-15-5-7(6-16-12)10-19-20-11(22-10)9(13)14/h3-6,9H,2H2,1H3,(H,15,16,18)
InChIKeyLMKZSYBDMBMCKP-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.42
Rot. Bonds5

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

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 162351190) has the molecular formula C12H11F2N7O and a molecular weight of 307.26 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID162351190
Molecular FormulaC12H11F2N7O
Molecular Weight307.26 g/mol
Exact Mass307.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine
SMILESCCn1nccc1Nc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C12H11F2N7O/c1-2-21-8(3-4-17-21)18-12-15-5-7(6-16-12)10-19-20-11(22-10)9(13)14/h3-6,9H,2H2,1H3,(H,15,16,18)
InChIKeyLMKZSYBDMBMCKP-UHFFFAOYSA-N
XLogP2.42
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676715
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(2,6-difluorophenyl)ethyl]pyrimidin-2-amine
CID 146676716
2-(difluoromethyl)-5-(2-phenylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 162351204
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(4-ethoxy-2-fluorophenyl)cyclopropyl]pyrimidin-2-amine
CID 147955243
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-[4-(1-ethylpiperidin-4-yl)phenyl]cyclobutyl]pyrimidin-2-amine
CID 129032848
N-[1-[5-(2,2-difluoroethyl)-2-pyridinyl]cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 139332365
4-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]cyclopropyl]benzonitrile
CID 135321026
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]acetamide
CID 135320968
N-[1-(3-chloro-4-fluorophenyl)cyclopropyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
CID 129032936
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)cyclobutyl]pyrimidin-2-amine
CID 129032671
N-[2-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 135320985

Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine (CID 162351190) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine is CCn1nccc1Nc1ncc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is LMKZSYBDMBMCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N7O/c1-2-21-8(3-4-17-21)18-12-15-5-7(6-16-12)10-19-20-11(22-10)9(13)14/h3-6,9H,2H2,1H3,(H,15,16,18).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 307.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(2-ethylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 162351190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).