N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine

C22H23N7O2 — CID 122282664

IUPACN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc2nc(-c3ccc(C)c(Nc4cc(N5CCOCC5)ncn4)c3)cn2n1
InChIInChI=1S/C22H23N7O2/c1-15-3-4-16(18-13-29-20(26-18)5-6-22(27-29)30-2)11-17(15)25-19-12-21(24-14-23-19)28-7-9-31-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,25)
InChIKeyCRKFCEJTOIHLJK-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.08
Rot. Bonds5

About N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine

N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 122282664) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID122282664
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC NameN-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ccc2nc(-c3ccc(C)c(Nc4cc(N5CCOCC5)ncn4)c3)cn2n1
InChIInChI=1S/C22H23N7O2/c1-15-3-4-16(18-13-29-20(26-18)5-6-22(27-29)30-2)11-17(15)25-19-12-21(24-14-23-19)28-7-9-31-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,25)
InChIKeyCRKFCEJTOIHLJK-UHFFFAOYSA-N
XLogP3.08
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857120
N-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112857127
6-morpholin-4-yl-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112857101
N-(2-chloro-4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282579
N-(4-methyl-2-pyridinyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 122282546
6-methoxy-N-(6-morpholin-4-ylpyrimidin-4-yl)pyridazine-3-carboxamide
CID 71794873
6-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112864698
N-(5-fluoro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 122282467
N-(5-chloro-2-methylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855741
N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2,2-dimethylpropanamide
CID 16885847
N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopropanecarboxamide
CID 16886064
N,N-bis[(3,5-dimethoxyphenyl)methyl]-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylaniline
CID 57406893

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine (CID 122282664) is N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine is COc1ccc2nc(-c3ccc(C)c(Nc4cc(N5CCOCC5)ncn4)c3)cn2n1.
What is the InChIKey of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is CRKFCEJTOIHLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-15-3-4-16(18-13-29-20(26-18)5-6-22(27-29)30-2)11-17(15)25-19-12-21(24-14-23-19)28-7-9-31-10-8-28/h3-6,11-14H,7-10H2,1-2H3,(H,23,24,25).
What are the key properties of N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine?
N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 417.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 122282664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).