2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C20H28N6O — CID 126930820

IUPAC2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCn1nc(N2CCCCC2CNc2ncnc3c2CCCCC3)ccc1=O
InChIInChI=1S/C20H28N6O/c1-25-19(27)11-10-18(24-25)26-12-6-5-7-15(26)13-21-20-16-8-3-2-4-9-17(16)22-14-23-20/h10-11,14-15H,2-9,12-13H2,1H3,(H,21,22,23)
InChIKeyPEUNQRZJYQUEOU-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126930820) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126930820
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESCn1nc(N2CCCCC2CNc2ncnc3c2CCCCC3)ccc1=O
InChIInChI=1S/C20H28N6O/c1-25-19(27)11-10-18(24-25)26-12-6-5-7-15(26)13-21-20-16-8-3-2-4-9-17(16)22-14-23-20/h10-11,14-15H,2-9,12-13H2,1H3,(H,21,22,23)
InChIKeyPEUNQRZJYQUEOU-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931412
2-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methylamino]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126930807
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
CID 126930618
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
2-(2-hydroxycyclohexyl)-6-[2-[[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931651
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784
2-propan-2-yl-6-[2-[(pyrido[3,4-d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931249
1-[4-[(1-methylpiperidin-2-yl)methylamino]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 70764881

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126930820) is 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is Cn1nc(N2CCCCC2CNc2ncnc3c2CCCCC3)ccc1=O.
What is the InChIKey of 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is PEUNQRZJYQUEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-25-19(27)11-10-18(24-25)26-12-6-5-7-15(26)13-21-20-16-8-3-2-4-9-17(16)22-14-23-20/h10-11,14-15H,2-9,12-13H2,1H3,(H,21,22,23).
What are the key properties of 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 368.49 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126930820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).