2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide

C18H25N7O3 — CID 121064091

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCOc2cc(N3CCN(C)CC3)ncn2)cn1
InChIInChI=1S/C18H25N7O3/c1-14-9-18(27)25(13-22-14)11-16(26)19-3-8-28-17-10-15(20-12-21-17)24-6-4-23(2)5-7-24/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,26)
InChIKeyYEMLDTHHFUYSCH-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.71
Rot. Bonds7

About 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide (PubChem CID 121064091) has the molecular formula C18H25N7O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
PubChem CID121064091
Molecular FormulaC18H25N7O3
Molecular Weight387.44 g/mol
Exact Mass387.20
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCOc2cc(N3CCN(C)CC3)ncn2)cn1
InChIInChI=1S/C18H25N7O3/c1-14-9-18(27)25(13-22-14)11-16(26)19-3-8-28-17-10-15(20-12-21-17)24-6-4-23(2)5-7-24/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,26)
InChIKeyYEMLDTHHFUYSCH-UHFFFAOYSA-N
XLogP-0.71
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121051139
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 121063971
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 121063830
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544256
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118648
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122294234
2-(4-methyl-6-oxopyrimidin-1-yl)-N-(3-phenylpropyl)acetamide
CID 121064050
2-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121119335
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 114582039
2-[6-(4-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide
CID 121038445
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122307526

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide (CID 121064091) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide is Cc1cc(=O)n(CC(=O)NCCOc2cc(N3CCN(C)CC3)ncn2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide?
The InChIKey is YEMLDTHHFUYSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O3/c1-14-9-18(27)25(13-22-14)11-16(26)19-3-8-28-17-10-15(20-12-21-17)24-6-4-23(2)5-7-24/h9-10,12-13H,3-8,11H2,1-2H3,(H,19,26).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of -0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyethyl]acetamide is sourced from PubChem (CID 121064091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).