5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine

C13H16N6 — CID 167814593

IUPAC5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
SMILESCc1cncnc1N1CCN(c2ccnnc2)CC1
InChIInChI=1S/C13H16N6/c1-11-8-14-10-15-13(11)19-6-4-18(5-7-19)12-2-3-16-17-9-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVIAHFYUHBKKUOZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.90
Rot. Bonds2

About 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine

5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine (PubChem CID 167814593) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
PubChem CID167814593
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine
SMILESCc1cncnc1N1CCN(c2ccnnc2)CC1
InChIInChI=1S/C13H16N6/c1-11-8-14-10-15-13(11)19-6-4-18(5-7-19)12-2-3-16-17-9-12/h2-3,8-10H,4-7H2,1H3
InChIKeyVIAHFYUHBKKUOZ-UHFFFAOYSA-N
XLogP0.90
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 155975470
4,6-dimethyl-2-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 139023232
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 155974702
(3R)-3-methyl-1-(5-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 126704475
6-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 163350137
4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-5-methylpyrimidine
CID 163344110
4-[2-(5-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrido[2,3-d]pyrimidine
CID 126934207
[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 91624333
4-[4-(5-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 138019808
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
N-ethyl-N-methyl-1-(5-methylpyrimidin-4-yl)azetidin-3-amine
CID 175647951
5-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridin-2-amine
CID 62255325

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine (CID 167814593) is 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine is Cc1cncnc1N1CCN(c2ccnnc2)CC1.
What is the InChIKey of 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine?
The InChIKey is VIAHFYUHBKKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-11-8-14-10-15-13(11)19-6-4-18(5-7-19)12-2-3-16-17-9-12/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine?
5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine has a molecular weight of 256.31 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-pyridazin-4-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 167814593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).