4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine

C23H22N6O — CID 108777599

IUPAC4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
SMILESCOc1ccc(-c2ccc(Nc3ccc(Nc4nc(C)cc(C)n4)cc3)nn2)cc1
InChIInChI=1S/C23H22N6O/c1-15-14-16(2)25-23(24-15)27-19-8-6-18(7-9-19)26-22-13-12-21(28-29-22)17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyBAUZMMXEGQVQEZ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.05
Rot. Bonds6

About 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine

4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine (PubChem CID 108777599) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
PubChem CID108777599
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine
SMILESCOc1ccc(-c2ccc(Nc3ccc(Nc4nc(C)cc(C)n4)cc3)nn2)cc1
InChIInChI=1S/C23H22N6O/c1-15-14-16(2)25-23(24-15)27-19-8-6-18(7-9-19)26-22-13-12-21(28-29-22)17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyBAUZMMXEGQVQEZ-UHFFFAOYSA-N
XLogP5.05
TPSA84.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-(3,4-dichlorophenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930759
N-(4-methoxyphenyl)-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-amine
CID 53104534
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
2-N-(3,4-dimethoxyphenyl)-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927358
3-N-(4-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyridazine-3,6-diamine
CID 101161568
6-methyl-2-N,4-N-bis(4-methylphenyl)pyrimidine-2,4-diamine
CID 112927319
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
N-(4-methoxyphenyl)-4-methyl-6-(5-phenyl-1,2-oxazol-3-yl)pyrimidin-2-amine
CID 23640779
4-N-(2,5-dimethoxyphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930724
4-methoxy-N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]benzenesulfonamide
CID 27478634
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108776575
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928075

Frequently Asked Questions

What is the IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine (CID 108777599) is 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine is COc1ccc(-c2ccc(Nc3ccc(Nc4nc(C)cc(C)n4)cc3)nn2)cc1.
What is the InChIKey of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine?
The InChIKey is BAUZMMXEGQVQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-14-16(2)25-23(24-15)27-19-8-6-18(7-9-19)26-22-13-12-21(28-29-22)17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine?
4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine has a molecular weight of 398.47 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4,6-dimethylpyrimidin-2-yl)-1-N-[6-(4-methoxyphenyl)pyridazin-3-yl]benzene-1,4-diamine is sourced from PubChem (CID 108777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).