2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine

C19H22N8O2 — CID 71460489

IUPAC2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
SMILESCOc1ncc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c(OC)n1
InChIInChI=1S/C19H22N8O2/c1-13-11-15(14-12-22-19(29-3)23-17(14)28-2)24-25-16(13)26-7-9-27(10-8-26)18-20-5-4-6-21-18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPZINRCBATPRQKU-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.38
Rot. Bonds5

About 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine

2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine (PubChem CID 71460489) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
PubChem CID71460489
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
SMILESCOc1ncc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c(OC)n1
InChIInChI=1S/C19H22N8O2/c1-13-11-15(14-12-22-19(29-3)23-17(14)28-2)24-25-16(13)26-7-9-27(10-8-26)18-20-5-4-6-21-18/h4-6,11-12H,7-10H2,1-3H3
InChIKeyPZINRCBATPRQKU-UHFFFAOYSA-N
XLogP1.38
TPSA102.28 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine (CID 71460489) is 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine is COc1ncc(-c2cc(C)c(N3CCN(c4ncccn4)CC3)nn2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine?
The InChIKey is PZINRCBATPRQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-13-11-15(14-12-22-19(29-3)23-17(14)28-2)24-25-16(13)26-7-9-27(10-8-26)18-20-5-4-6-21-18/h4-6,11-12H,7-10H2,1-3H3.
What are the key properties of 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine?
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine has a molecular weight of 394.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine is sourced from PubChem (CID 71460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).