[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

C16H20N6O3 — CID 97486030

IUPAC[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESCOCCNc1ccnc([C@@H]2COCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21)/t13-/m0/s1
InChIKeyRHGRLSLEIZZIFD-ZDUSSCGKSA-N
MW344.38 g/mol
LogP0.54
Rot. Bonds6

About [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone

[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (PubChem CID 97486030) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
PubChem CID97486030
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone
SMILESCOCCNc1ccnc([C@@H]2COCCN2C(=O)c2ccnnc2)n1
InChIInChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21)/t13-/m0/s1
InChIKeyRHGRLSLEIZZIFD-ZDUSSCGKSA-N
XLogP0.54
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone 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 [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone (CID 97486030) is [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is COCCNc1ccnc([C@@H]2COCCN2C(=O)c2ccnnc2)n1.
What is the InChIKey of [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
The InChIKey is RHGRLSLEIZZIFD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-24-8-6-17-14-3-4-18-15(21-14)13-11-25-9-7-22(13)16(23)12-2-5-19-20-10-12/h2-5,10,13H,6-9,11H2,1H3,(H,17,18,21)/t13-/m0/s1.
What are the key properties of [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone?
[(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone has a molecular weight of 344.38 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-methoxyethylamino)pyrimidin-2-yl]morpholin-4-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 97486030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).