N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide

C21H22N6O — CID 59549144

IUPACN'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cnc(-c2cccc(Cn3nc(C4CC4)ccc3=O)c2)nc1
InChIInChI=1S/C21H22N6O/c1-26(2)14-24-18-11-22-21(23-12-18)17-5-3-4-15(10-17)13-27-20(28)9-8-19(25-27)16-6-7-16/h3-5,8-12,14,16H,6-7,13H2,1-2H3/b24-14+
InChIKeyALPOUIYCKGTBTR-ZVHZXABRSA-N
MW374.45 g/mol
LogP2.85
Rot. Bonds6

About N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide

N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide (PubChem CID 59549144) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
PubChem CID59549144
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1cnc(-c2cccc(Cn3nc(C4CC4)ccc3=O)c2)nc1
InChIInChI=1S/C21H22N6O/c1-26(2)14-24-18-11-22-21(23-12-18)17-5-3-4-15(10-17)13-27-20(28)9-8-19(25-27)16-6-7-16/h3-5,8-12,14,16H,6-7,13H2,1-2H3/b24-14+
InChIKeyALPOUIYCKGTBTR-ZVHZXABRSA-N
XLogP2.85
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-cyclopropyl-2-[[3-[5-(1-methylpiperidin-4-yl)oxypyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 42641498
2-[[3-(5-methylpyrimidin-2-yl)phenyl]methyl]-6-(1H-pyrazol-5-yl)pyridazin-3-one
CID 68507479
N-[2-(dimethylamino)ethyl]-2-[2-[3-[[3-(2-methyl-3,4-dihydropyrazol-4-yl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidin-5-yl]oxyacetamide
CID 91306943
6-(3,5-difluorophenyl)-2-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 59484948
3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 25171648
2-[[3-(5-ethoxypyrimidin-2-yl)phenyl]methyl]-6-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 68508570
6-(3-aminophenyl)-2-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]pyridazin-3-one
CID 89054293
2-[[3-(5-bromopyrimidin-2-yl)phenyl]methyl]-6-[3-(methylamino)phenyl]pyridazin-3-one
CID 90903250
(Z)-but-2-enedioic acid;3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 25171861
ethyl 2-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]pyrimidine-5-carboxylate
CID 25173290
2-[[3-(5-aminopyrimidin-2-yl)phenyl]methyl]-6-(4-methylsulfonylphenyl)pyridazin-3-one
CID 59484949
3-[1-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzamide
CID 59484854

Frequently Asked Questions

What is the IUPAC name of N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide (CID 59549144) is N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1cnc(-c2cccc(Cn3nc(C4CC4)ccc3=O)c2)nc1.
What is the InChIKey of N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
The InChIKey is ALPOUIYCKGTBTR-ZVHZXABRSA-N. The full InChI is InChI=1S/C21H22N6O/c1-26(2)14-24-18-11-22-21(23-12-18)17-5-3-4-15(10-17)13-27-20(28)9-8-19(25-27)16-6-7-16/h3-5,8-12,14,16H,6-7,13H2,1-2H3/b24-14+.
What are the key properties of N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide?
N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide has a molecular weight of 374.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]phenyl]pyrimidin-5-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 59549144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).