1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

C19H30N6O2 — CID 50979092

IUPAC1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(N2CCOCC2)cc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H30N6O2/c20-19-21-16(14-17(22-19)24-10-12-27-13-11-24)23-7-3-15(4-8-23)5-9-25-6-1-2-18(25)26/h14-15H,1-13H2,(H2,20,21,22)
InChIKeyMCPZCKDEYSKEAI-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.12
Rot. Bonds5

About 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one

1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (PubChem CID 50979092) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
PubChem CID50979092
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one
SMILESNc1nc(N2CCOCC2)cc(N2CCC(CCN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H30N6O2/c20-19-21-16(14-17(22-19)24-10-12-27-13-11-24)23-7-3-15(4-8-23)5-9-25-6-1-2-18(25)26/h14-15H,1-13H2,(H2,20,21,22)
InChIKeyMCPZCKDEYSKEAI-UHFFFAOYSA-N
XLogP1.12
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 155514035
CID 155514035
CID 155544620
CID 155544620
CID 155561320
CID 155561320
CID 155563468
CID 155563468
CID 133534377
CID 133534377
CID 155515923
CID 155515923
CID 44586348
CID 44586348
CID 155511284
CID 155511284
CID 155517549
CID 155517549
CID 45502711
CID 45502711
CID 53170415
CID 53170415
CID 53170497
CID 53170497

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one (CID 50979092) is 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is Nc1nc(N2CCOCC2)cc(N2CCC(CCN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
The InChIKey is MCPZCKDEYSKEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c20-19-21-16(14-17(22-19)24-10-12-27-13-11-24)23-7-3-15(4-8-23)5-9-25-6-1-2-18(25)26/h14-15H,1-13H2,(H2,20,21,22).
What are the key properties of 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one has a molecular weight of 374.49 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 50979092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).