N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

C15H18N6O3 — CID 122353494

IUPACN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)NCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c22-13(11-21-14(23)2-1-4-18-21)17-10-12-3-5-16-15(19-12)20-6-8-24-9-7-20/h1-5H,6-11H2,(H,17,22)
InChIKeyJBRBGODKUFFOEU-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.81
Rot. Bonds5

About N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (PubChem CID 122353494) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
PubChem CID122353494
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
SMILESO=C(Cn1ncccc1=O)NCc1ccnc(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c22-13(11-21-14(23)2-1-4-18-21)17-10-12-3-5-16-15(19-12)20-6-8-24-9-7-20/h1-5H,6-11H2,(H,17,22)
InChIKeyJBRBGODKUFFOEU-UHFFFAOYSA-N
XLogP-0.81
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(dimethylamino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122254876
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]acetamide
CID 122353478
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122295239
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
CID 122353411
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
1-(2,3-dimethoxyphenyl)-3-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]urea
CID 122353603
N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122253596

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide (CID 122353494) is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is O=C(Cn1ncccc1=O)NCc1ccnc(N2CCOCC2)n1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
The InChIKey is JBRBGODKUFFOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c22-13(11-21-14(23)2-1-4-18-21)17-10-12-3-5-16-15(19-12)20-6-8-24-9-7-20/h1-5H,6-11H2,(H,17,22).
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide?
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide has a molecular weight of 330.35 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 122353494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).