N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine

C19H18N6 — CID 126475848

IUPACN-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)c(C)c1
InChIInChI=1S/C19H18N6/c1-13-3-4-15(14(2)7-13)10-22-18-5-6-19-23-11-17(25(19)24-18)16-8-20-12-21-9-16/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyOVEOYUMWDLCSJX-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.42
Rot. Bonds4

About N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine

N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 126475848) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
PubChem CID126475848
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)c(C)c1
InChIInChI=1S/C19H18N6/c1-13-3-4-15(14(2)7-13)10-22-18-5-6-19-23-11-17(25(19)24-18)16-8-20-12-21-9-16/h3-9,11-12H,10H2,1-2H3,(H,22,24)
InChIKeyOVEOYUMWDLCSJX-UHFFFAOYSA-N
XLogP3.42
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
4-[6-[(2,4-dimethylphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900202
N-[(3,4-dichlorophenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine
CID 126475886
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
N-[(2-methoxy-4-methylphenyl)methyl]-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419819
N-[(4-fluorophenyl)methyl]-3-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 58857753
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
N-[(3,4-difluorophenyl)methyl]-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453643
3-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 126470014
N-[3-[[(3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)amino]methyl]phenyl]acetamide
CID 59453696
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine (CID 126475848) is N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine is Cc1ccc(CNc2ccc3ncc(-c4cncnc4)n3n2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is OVEOYUMWDLCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-13-3-4-15(14(2)7-13)10-22-18-5-6-19-23-11-17(25(19)24-18)16-8-20-12-21-9-16/h3-9,11-12H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine?
N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 330.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-3-pyrimidin-5-ylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126475848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).