2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine

C18H19N7 — CID 139029254

IUPAC2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1
InChIInChI=1S/C18H19N7/c1-14-20-8-6-17(21-14)24-9-11-25(12-10-24)18-5-4-16(22-23-18)15-3-2-7-19-13-15/h2-8,13H,9-12H2,1H3
InChIKeyQJXLQZDYRXHWAO-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.96
Rot. Bonds3

About 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine

2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine (PubChem CID 139029254) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
PubChem CID139029254
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
SMILESCc1nccc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1
InChIInChI=1S/C18H19N7/c1-14-20-8-6-17(21-14)24-9-11-25(12-10-24)18-5-4-16(22-23-18)15-3-2-7-19-13-15/h2-8,13H,9-12H2,1H3
InChIKeyQJXLQZDYRXHWAO-UHFFFAOYSA-N
XLogP1.96
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 139027856
2,4-dimethyl-5-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-yl]-1,3-thiazole
CID 155980504
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methanone
CID 167971504
[4-(dimethylamino)phenyl]-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058362
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058422
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
3-(3,5-dimethylpyrazol-1-yl)-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 133458607
3-phenyl-6-pyridin-3-ylpyridazine
CID 12712239
[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanamine
CID 116972450
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine (CID 139029254) is 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine is Cc1nccc(N2CCN(c3ccc(-c4cccnc4)nn3)CC2)n1.
What is the InChIKey of 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
The InChIKey is QJXLQZDYRXHWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-14-20-8-6-17(21-14)24-9-11-25(12-10-24)18-5-4-16(22-23-18)15-3-2-7-19-13-15/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine?
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine has a molecular weight of 333.40 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine is sourced from PubChem (CID 139029254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).