2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide

C20H24N8O2 — CID 122326929

IUPAC2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)Cn3cnc(C)c(C)c3=O)nn2)nc1
InChIInChI=1S/C20H24N8O2/c1-13-4-5-16(23-10-13)25-18-7-6-17(26-27-18)21-8-9-22-19(29)11-28-12-24-15(3)14(2)20(28)30/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,26)(H,22,29)(H,23,25,27)
InChIKeyFGLZJTWCLJLXBA-UHFFFAOYSA-N
MW408.47 g/mol
LogP1.33
Rot. Bonds8

About 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide

2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122326929) has the molecular formula C20H24N8O2 and a molecular weight of 408.47 g/mol. Its IUPAC name is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122326929
Molecular FormulaC20H24N8O2
Molecular Weight408.47 g/mol
Exact Mass408.20
IUPAC Name2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)Cn3cnc(C)c(C)c3=O)nn2)nc1
InChIInChI=1S/C20H24N8O2/c1-13-4-5-16(23-10-13)25-18-7-6-17(26-27-18)21-8-9-22-19(29)11-28-12-24-15(3)14(2)20(28)30/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,26)(H,22,29)(H,23,25,27)
InChIKeyFGLZJTWCLJLXBA-UHFFFAOYSA-N
XLogP1.33
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122325476
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326923
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 122295473
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide (CID 122326929) is 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide is Cc1ccc(Nc2ccc(NCCNC(=O)Cn3cnc(C)c(C)c3=O)nn2)nc1.
What is the InChIKey of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is FGLZJTWCLJLXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2/c1-13-4-5-16(23-10-13)25-18-7-6-17(26-27-18)21-8-9-22-19(29)11-28-12-24-15(3)14(2)20(28)30/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,26)(H,22,29)(H,23,25,27).
What are the key properties of 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide?
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 408.47 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122326929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).