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

C18H19N5O — CID 91892565

IUPACN-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-3-7-13(8-4-1)16-22-18(24-23-16)15-11-19-12-20-17(15)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21)
InChIKeyDMJNTXZYBWFCGW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.94
Rot. Bonds4

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

N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (PubChem CID 91892565) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
PubChem CID91892565
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
SMILESc1ccc(-c2noc(-c3cncnc3NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H19N5O/c1-3-7-13(8-4-1)16-22-18(24-23-16)15-11-19-12-20-17(15)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21)
InChIKeyDMJNTXZYBWFCGW-UHFFFAOYSA-N
XLogP3.94
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine (CID 91892565) is N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is c1ccc(-c2noc(-c3cncnc3NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
The InChIKey is DMJNTXZYBWFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-3-7-13(8-4-1)16-22-18(24-23-16)15-11-19-12-20-17(15)21-14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,19,20,21).
What are the key properties of N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine?
N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 91892565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).