5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine

C16H12F3N5O — CID 135320799

IUPAC5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
SMILESFc1ccc2c(c1)CCC2Nc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C16H12F3N5O/c17-10-2-3-11-8(5-10)1-4-12(11)22-16-20-6-9(7-21-16)14-23-24-15(25-14)13(18)19/h2-3,5-7,12-13H,1,4H2,(H,20,21,22)
InChIKeyZMTPDKFZKIJLDM-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.70
Rot. Bonds4

About 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine

5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine (PubChem CID 135320799) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
PubChem CID135320799
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine
SMILESFc1ccc2c(c1)CCC2Nc1ncc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C16H12F3N5O/c17-10-2-3-11-8(5-10)1-4-12(11)22-16-20-6-9(7-21-16)14-23-24-15(25-14)13(18)19/h2-3,5-7,12-13H,1,4H2,(H,20,21,22)
InChIKeyZMTPDKFZKIJLDM-UHFFFAOYSA-N
XLogP3.70
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine (CID 135320799) is 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine is Fc1ccc2c(c1)CCC2Nc1ncc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
The InChIKey is ZMTPDKFZKIJLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-10-2-3-11-8(5-10)1-4-12(11)22-16-20-6-9(7-21-16)14-23-24-15(25-14)13(18)19/h2-3,5-7,12-13H,1,4H2,(H,20,21,22).
What are the key properties of 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine?
5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine has a molecular weight of 347.30 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 135320799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).