N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

C19H21N5O — CID 91892596

IUPACN-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-7-11-15(10-6-1)22-18-16(12-20-13-21-18)19-23-17(24-25-19)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,20,21,22)
InChIKeyVRKAHFJREKOCJL-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.33
Rot. Bonds4

About N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine

N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892596) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892596
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3NC3CCCCCC3)n2)cc1
InChIInChI=1S/C19H21N5O/c1-2-7-11-15(10-6-1)22-18-16(12-20-13-21-18)19-23-17(24-25-19)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,20,21,22)
InChIKeyVRKAHFJREKOCJL-UHFFFAOYSA-N
XLogP4.33
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892596) is N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is c1ccc(-c2noc(-c3cncnc3NC3CCCCCC3)n2)cc1.
What is the InChIKey of N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is VRKAHFJREKOCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-2-7-11-15(10-6-1)22-18-16(12-20-13-21-18)19-23-17(24-25-19)14-8-4-3-5-9-14/h3-5,8-9,12-13,15H,1-2,6-7,10-11H2,(H,20,21,22).
What are the key properties of N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 335.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).