N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

C16H23N7O2 — CID 171994648

IUPACN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1nc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)no1
InChIInChI=1S/C16H23N7O2/c1-12-18-14(21-25-12)11-22-5-3-13(10-22)19-16-17-4-2-15(20-16)23-6-8-24-9-7-23/h2,4,13H,3,5-11H2,1H3,(H,17,19,20)
InChIKeySTCYIUKESOVGCD-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.69
Rot. Bonds5

About N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine

N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (PubChem CID 171994648) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
PubChem CID171994648
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC NameN-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine
SMILESCc1nc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)no1
InChIInChI=1S/C16H23N7O2/c1-12-18-14(21-25-12)11-22-5-3-13(10-22)19-16-17-4-2-15(20-16)23-6-8-24-9-7-23/h2,4,13H,3,5-11H2,1H3,(H,17,19,20)
InChIKeySTCYIUKESOVGCD-UHFFFAOYSA-N
XLogP0.69
TPSA92.44 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-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 N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine (CID 171994648) is N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is Cc1nc(CN2CCC(Nc3nccc(N4CCOCC4)n3)C2)no1.
What is the InChIKey of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is STCYIUKESOVGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-12-18-14(21-25-12)11-22-5-3-13(10-22)19-16-17-4-2-15(20-16)23-6-8-24-9-7-23/h2,4,13H,3,5-11H2,1H3,(H,17,19,20).
What are the key properties of N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine?
N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 345.41 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-yl]-4-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 171994648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).