N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

C15H21N7O2 — CID 122295488

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)Cn2ncccc2=O)n1
InChIInChI=1S/C15H21N7O2/c1-11-9-12(21(2)3)20-15(19-11)17-8-7-16-13(23)10-22-14(24)5-4-6-18-22/h4-6,9H,7-8,10H2,1-3H3,(H,16,23)(H,17,19,20)
InChIKeyAPDSYOYWVIPOSM-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.36
Rot. Bonds7

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122295488) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122295488
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1cc(N(C)C)nc(NCCNC(=O)Cn2ncccc2=O)n1
InChIInChI=1S/C15H21N7O2/c1-11-9-12(21(2)3)20-15(19-11)17-8-7-16-13(23)10-22-14(24)5-4-6-18-22/h4-6,9H,7-8,10H2,1-3H3,(H,16,23)(H,17,19,20)
InChIKeyAPDSYOYWVIPOSM-UHFFFAOYSA-N
XLogP-0.36
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122325125
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122295487
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295239
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 122295473
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 122295436
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 122295387
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2,2-dimethylpropanamide
CID 121075291
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 122295413
N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122293952
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-4-methoxybenzamide
CID 50947492
2-cyclopentyl-N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]acetamide
CID 122295383
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-fluorophenoxy)acetamide
CID 122295393

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122295488) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is Cc1cc(N(C)C)nc(NCCNC(=O)Cn2ncccc2=O)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is APDSYOYWVIPOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-11-9-12(21(2)3)20-15(19-11)17-8-7-16-13(23)10-22-14(24)5-4-6-18-22/h4-6,9H,7-8,10H2,1-3H3,(H,16,23)(H,17,19,20).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of -0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122295488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).