N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

C20H23N7O2 — CID 122325125

IUPACN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3ncccc3=O)n2)cc1
InChIInChI=1S/C20H23N7O2/c1-14-5-7-16(8-6-14)25-17-12-15(2)24-20(26-17)22-11-10-21-18(28)13-27-19(29)4-3-9-23-27/h3-9,12H,10-11,13H2,1-2H3,(H,21,28)(H2,22,24,25,26)
InChIKeyWTXFHSNBUZCIFS-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.62
Rot. Bonds8

About N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122325125) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122325125
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESCc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3ncccc3=O)n2)cc1
InChIInChI=1S/C20H23N7O2/c1-14-5-7-16(8-6-14)25-17-12-15(2)24-20(26-17)22-11-10-21-18(28)13-27-19(29)4-3-9-23-27/h3-9,12H,10-11,13H2,1-2H3,(H,21,28)(H2,22,24,25,26)
InChIKeyWTXFHSNBUZCIFS-UHFFFAOYSA-N
XLogP1.62
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.62
H-Bond Donors ≤ 53
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-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295488
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122287106
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325150
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295239
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 121075015
2-[2-[4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122346449
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]propanamide
CID 121075051
2-(2-chloro-6-fluorophenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325152
2-methoxy-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]benzamide
CID 122324837
2-(4-methoxy-3-methylphenyl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325097
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]naphthalene-1-carboxamide
CID 122325017
N-[2-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 122294709

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122325125) is N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is Cc1ccc(Nc2cc(C)nc(NCCNC(=O)Cn3ncccc3=O)n2)cc1.
What is the InChIKey of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is WTXFHSNBUZCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-14-5-7-16(8-6-14)25-17-12-15(2)24-20(26-17)22-11-10-21-18(28)13-27-19(29)4-3-9-23-27/h3-9,12H,10-11,13H2,1-2H3,(H,21,28)(H2,22,24,25,26).
What are the key properties of N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 393.45 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122325125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).