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

C17H14ClF2N5O — CID 129032716

IUPACN-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccccc4Cl)CCC3)nc2)o1
InChIInChI=1S/C17H14ClF2N5O/c18-12-5-2-1-4-11(12)17(6-3-7-17)23-16-21-8-10(9-22-16)14-24-25-15(26-14)13(19)20/h1-2,4-5,8-9,13H,3,6-7H2,(H,21,22,23)
InChIKeyKQAYHVMWQWFKFV-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.61
Rot. Bonds5

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

N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (PubChem CID 129032716) has the molecular formula C17H14ClF2N5O and a molecular weight of 377.78 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
PubChem CID129032716
Molecular FormulaC17H14ClF2N5O
Molecular Weight377.78 g/mol
Exact Mass377.09
IUPAC NameN-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine
SMILESFC(F)c1nnc(-c2cnc(NC3(c4ccccc4Cl)CCC3)nc2)o1
InChIInChI=1S/C17H14ClF2N5O/c18-12-5-2-1-4-11(12)17(6-3-7-17)23-16-21-8-10(9-22-16)14-24-25-15(26-14)13(19)20/h1-2,4-5,8-9,13H,3,6-7H2,(H,21,22,23)
InChIKeyKQAYHVMWQWFKFV-UHFFFAOYSA-N
XLogP4.61
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine (CID 129032716) is N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is FC(F)c1nnc(-c2cnc(NC3(c4ccccc4Cl)CCC3)nc2)o1.
What is the InChIKey of N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
The InChIKey is KQAYHVMWQWFKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N5O/c18-12-5-2-1-4-11(12)17(6-3-7-17)23-16-21-8-10(9-22-16)14-24-25-15(26-14)13(19)20/h1-2,4-5,8-9,13H,3,6-7H2,(H,21,22,23).
What are the key properties of N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine?
N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine has a molecular weight of 377.78 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)cyclobutyl]-5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 129032716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).