methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate

C16H20N6O3 — CID 167935467

IUPACmethyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3nc(C)cc(OC)n3)CC2)nn1
InChIInChI=1S/C16H20N6O3/c1-11-10-14(24-2)18-16(17-11)22-8-6-21(7-9-22)13-5-4-12(19-20-13)15(23)25-3/h4-5,10H,6-9H2,1-3H3
InChIKeyFIPKUXMQRSNMDQ-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.70
Rot. Bonds4

About methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate

methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate (PubChem CID 167935467) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
PubChem CID167935467
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Namemethyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCN(c3nc(C)cc(OC)n3)CC2)nn1
InChIInChI=1S/C16H20N6O3/c1-11-10-14(24-2)18-16(17-11)22-8-6-21(7-9-22)13-5-4-12(19-20-13)15(23)25-3/h4-5,10H,6-9H2,1-3H3
InChIKeyFIPKUXMQRSNMDQ-UHFFFAOYSA-N
XLogP0.70
TPSA93.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate with MolForge

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Related Compounds

methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
4-methoxy-6-methyl-2-(4-pyrazin-2-ylpiperazin-1-yl)pyrimidine
CID 4584167
methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 133342751
methyl 6-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyridazine-3-carboxylate
CID 58845099
[4-(4-methoxy-6-methylpyrimidin-2-yl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 167743168
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 2-(4-aminopiperidin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 69357108
4-ethyl-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115973034
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate (CID 167935467) is methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCN(c3nc(C)cc(OC)n3)CC2)nn1.
What is the InChIKey of methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate?
The InChIKey is FIPKUXMQRSNMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-10-14(24-2)18-16(17-11)22-8-6-21(7-9-22)13-5-4-12(19-20-13)15(23)25-3/h4-5,10H,6-9H2,1-3H3.
What are the key properties of methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate?
methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate has a molecular weight of 344.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 167935467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).