6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one

C16H20N6O3 — CID 122332267

IUPAC6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(C)n1
InChIInChI=1S/C16H20N6O3/c1-11-17-13(10-14(18-11)25-3)21-6-8-22(9-7-21)16(24)12-4-5-15(23)20(2)19-12/h4-5,10H,6-9H2,1-3H3
InChIKeyAFCHVWULLOJWIX-UHFFFAOYSA-N
MW344.38 g/mol
LogP-0.15
Rot. Bonds3

About 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one

6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 122332267) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID122332267
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Name6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCOc1cc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(C)n1
InChIInChI=1S/C16H20N6O3/c1-11-17-13(10-14(18-11)25-3)21-6-8-22(9-7-21)16(24)12-4-5-15(23)20(2)19-12/h4-5,10H,6-9H2,1-3H3
InChIKeyAFCHVWULLOJWIX-UHFFFAOYSA-N
XLogP-0.15
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122338462
6-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90516980
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122332324
1-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 121035022
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 42473268
(3-chlorophenyl)-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473262
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 122332308
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 122332363
6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 122334034
3-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]benzonitrile
CID 122332318
6-[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 126852374
2-methyl-6-(4-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 47162984

Frequently Asked Questions

What is the IUPAC name of 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one (CID 122332267) is 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one is COc1cc(N2CCN(C(=O)c3ccc(=O)n(C)n3)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is AFCHVWULLOJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-17-13(10-14(18-11)25-3)21-6-8-22(9-7-21)16(24)12-4-5-15(23)20(2)19-12/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one?
6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 344.38 g/mol, XLogP of -0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 122332267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).