2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine

C9H12N4 — CID 143061772

IUPAC2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine
SMILESCC1CCC(c2ncccn2)=NN1
InChIInChI=1S/C9H12N4/c1-7-3-4-8(13-12-7)9-10-5-2-6-11-9/h2,5-7,12H,3-4H2,1H3
InChIKeyMUYICMJWEAIUFP-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.95
Rot. Bonds1

About 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine

2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine (PubChem CID 143061772) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine.

Molecular Properties

Compound Name2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine
PubChem CID143061772
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine
SMILESCC1CCC(c2ncccn2)=NN1
InChIInChI=1S/C9H12N4/c1-7-3-4-8(13-12-7)9-10-5-2-6-11-9/h2,5-7,12H,3-4H2,1H3
InChIKeyMUYICMJWEAIUFP-UHFFFAOYSA-N
XLogP0.95
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-methyl-2-pyrimidin-2-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62746577
2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
2-(2-bicyclo[3.1.0]hex-1-enyl)pyrimidine
CID 174794331
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292
2-(4-methylazetidin-2-yl)pyridine
CID 116822058
2-ethyl-7-methyl-6-pyrimidin-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine
CID 171632812
3-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,3-b]pyridine
CID 169082807
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
3-pyrimidin-2-yl-4,5,6,7-tetrahydro-1H-indazole
CID 123838523
2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine
CID 146587176
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
CID 20718034
6-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 82567568

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine?
The IUPAC name of 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine (CID 143061772) is 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine.
What is the SMILES notation for 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine?
The canonical SMILES for 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine is CC1CCC(c2ncccn2)=NN1.
What is the InChIKey of 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine?
The InChIKey is MUYICMJWEAIUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-7-3-4-8(13-12-7)9-10-5-2-6-11-9/h2,5-7,12H,3-4H2,1H3.
What are the key properties of 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine?
2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine has a molecular weight of 176.22 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine is sourced from PubChem (CID 143061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).