N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine

C17H15ClFN5O — CID 163813487

IUPACN-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
SMILESCc1nnc(-c2cnc(NC3(c4cc(Cl)ccc4F)CCC3)nc2)o1
InChIInChI=1S/C17H15ClFN5O/c1-10-23-24-15(25-10)11-8-20-16(21-9-11)22-17(5-2-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-9H,2,5-6H2,1H3,(H,20,21,22)
InChIKeyNPHNJKXHINQWBA-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.12
Rot. Bonds4

About N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine

N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine (PubChem CID 163813487) has the molecular formula C17H15ClFN5O and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
PubChem CID163813487
Molecular FormulaC17H15ClFN5O
Molecular Weight359.79 g/mol
Exact Mass359.09
IUPAC NameN-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine
SMILESCc1nnc(-c2cnc(NC3(c4cc(Cl)ccc4F)CCC3)nc2)o1
InChIInChI=1S/C17H15ClFN5O/c1-10-23-24-15(25-10)11-8-20-16(21-9-11)22-17(5-2-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-9H,2,5-6H2,1H3,(H,20,21,22)
InChIKeyNPHNJKXHINQWBA-UHFFFAOYSA-N
XLogP4.12
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine (CID 163813487) is N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine is Cc1nnc(-c2cnc(NC3(c4cc(Cl)ccc4F)CCC3)nc2)o1.
What is the InChIKey of N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine?
The InChIKey is NPHNJKXHINQWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN5O/c1-10-23-24-15(25-10)11-8-20-16(21-9-11)22-17(5-2-6-17)13-7-12(18)3-4-14(13)19/h3-4,7-9H,2,5-6H2,1H3,(H,20,21,22).
What are the key properties of N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine?
N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine has a molecular weight of 359.79 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-fluorophenyl)cyclobutyl]-5-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 163813487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).