5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C19H21N7O — CID 66825947

IUPAC5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cn2)cn1
InChIInChI=1S/C19H21N7O/c20-17-22-10-13(11-23-17)15-5-4-14(12-21-15)19(6-3-7-19)16-24-18(27-25-16)26-8-1-2-9-26/h4-5,10-12H,1-3,6-9H2,(H2,20,22,23)
InChIKeyNIQOKVZHXWVXBW-UHFFFAOYSA-N
MW363.43 g/mol
LogP2.57
Rot. Bonds4

About 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66825947) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66825947
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cn2)cn1
InChIInChI=1S/C19H21N7O/c20-17-22-10-13(11-23-17)15-5-4-14(12-21-15)19(6-3-7-19)16-24-18(27-25-16)26-8-1-2-9-26/h4-5,10-12H,1-3,6-9H2,(H2,20,22,23)
InChIKeyNIQOKVZHXWVXBW-UHFFFAOYSA-N
XLogP2.57
TPSA106.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66825947) is 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(c4noc(N5CCCC5)n4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is NIQOKVZHXWVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c20-17-22-10-13(11-23-17)15-5-4-14(12-21-15)19(6-3-7-19)16-24-18(27-25-16)26-8-1-2-9-26/h4-5,10-12H,1-3,6-9H2,(H2,20,22,23).
What are the key properties of 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-(5-pyrrolidin-1-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66825947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).