6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one

C21H32N6O — CID 126937891

IUPAC6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(NCC2CCCCN2CCn2nc(C(C)(C)C)ccc2=O)ncn1
InChIInChI=1S/C21H32N6O/c1-16-13-19(24-15-23-16)22-14-17-7-5-6-10-26(17)11-12-27-20(28)9-8-18(25-27)21(2,3)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,22,23,24)
InChIKeyAUJYRVSVJSHKPV-UHFFFAOYSA-N
MW384.53 g/mol
LogP2.61
Rot. Bonds6

About 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126937891) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
PubChem CID126937891
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(NCC2CCCCN2CCn2nc(C(C)(C)C)ccc2=O)ncn1
InChIInChI=1S/C21H32N6O/c1-16-13-19(24-15-23-16)22-14-17-7-5-6-10-26(17)11-12-27-20(28)9-8-18(25-27)21(2,3)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,22,23,24)
InChIKeyAUJYRVSVJSHKPV-UHFFFAOYSA-N
XLogP2.61
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

6-tert-butyl-2-[2-[2-[[(6-methylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937882
6-tert-butyl-2-[2-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937892
6-tert-butyl-2-[2-[2-[(cyclobutylamino)methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937906
2-[2-[2-[[(6-tert-butylpyridazin-3-yl)amino]methyl]piperidin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126937711
2-[2-[2-[[(5-bromopyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]-6-tert-butylpyridazin-3-one
CID 126937873
2-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 126937867
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126937807
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126937798
6-methyl-2-[2-[2-[[(5-methylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one
CID 126937746
6-tert-butyl-2-[[1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923941
3-methyl-6-[[1-[2-(6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methylamino]pyrimidin-4-one
CID 126937568
N-[[1-[2-(3-tert-butyl-6-oxopyridazin-1-yl)ethyl]piperidin-2-yl]methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 126937849

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one (CID 126937891) is 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one is Cc1cc(NCC2CCCCN2CCn2nc(C(C)(C)C)ccc2=O)ncn1.
What is the InChIKey of 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is AUJYRVSVJSHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-16-13-19(24-15-23-16)22-14-17-7-5-6-10-26(17)11-12-27-20(28)9-8-18(25-27)21(2,3)4/h8-9,13,15,17H,5-7,10-12,14H2,1-4H3,(H,22,23,24).
What are the key properties of 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one?
6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 384.53 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[2-[2-[[(6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126937891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).