2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol

C22H32N6O4 — CID 152755510

IUPAC2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol
SMILESCOCCN(C)c1cc(C(=NN)c2cc(C)ccc2O)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C22H32N6O4/c1-16-4-5-19(29)17(14-16)21(26-23)18-15-20(27(2)6-10-30-3)25-22(24-18)32-13-9-28-7-11-31-12-8-28/h4-5,14-15,29H,6-13,23H2,1-3H3
InChIKeyKTDOWHGWIFKKKX-UHFFFAOYSA-N
MW444.54 g/mol
LogP1.00
Rot. Bonds10

About 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol

2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol (PubChem CID 152755510) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol
PubChem CID152755510
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol
SMILESCOCCN(C)c1cc(C(=NN)c2cc(C)ccc2O)nc(OCCN2CCOCC2)n1
InChIInChI=1S/C22H32N6O4/c1-16-4-5-19(29)17(14-16)21(26-23)18-15-20(27(2)6-10-30-3)25-22(24-18)32-13-9-28-7-11-31-12-8-28/h4-5,14-15,29H,6-13,23H2,1-3H3
InChIKeyKTDOWHGWIFKKKX-UHFFFAOYSA-N
XLogP1.00
TPSA118.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(3-morpholin-4-ylpropanehydrazonoyl)phenol
CID 139929817
6-N-[(E)-1H-indol-3-ylmethylideneamino]-4-N-(2-methoxyethyl)-4-N-methyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine
CID 135530125
6-N-(2-methoxyethyl)-6-N-methyl-2-N-[(3-methylphenyl)methylideneamino]-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 66682197
6-(dipropylamino)-N'-(3-methylphenyl)-2-(2-morpholin-4-ylethoxy)pyrimidine-4-carbohydrazide
CID 71193788
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
1-(2,4-dimethylphenyl)-3-[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]thiourea
CID 143450356
2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
CID 140590651
6-N,6-N-diethyl-4-(2-morpholin-4-ylethoxy)pyridine-2,6-diamine
CID 143229880
N,N-diethyl-4-[(3-methylphenyl)methyldiazenyl]-6-(2-morpholin-4-ylethoxy)-1,3,5-triazin-2-amine
CID 91298050
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
6-(2-aminopyrimidin-5-yl)-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 42613650
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103

Frequently Asked Questions

What is the IUPAC name of 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol?
The IUPAC name of 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol (CID 152755510) is 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol.
What is the SMILES notation for 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol?
The canonical SMILES for 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol is COCCN(C)c1cc(C(=NN)c2cc(C)ccc2O)nc(OCCN2CCOCC2)n1.
What is the InChIKey of 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol?
The InChIKey is KTDOWHGWIFKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c1-16-4-5-19(29)17(14-16)21(26-23)18-15-20(27(2)6-10-30-3)25-22(24-18)32-13-9-28-7-11-31-12-8-28/h4-5,14-15,29H,6-13,23H2,1-3H3.
What are the key properties of 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol?
2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol has a molecular weight of 444.54 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[C-[6-[2-methoxyethyl(methyl)amino]-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]carbonohydrazonoyl]-4-methylphenol is sourced from PubChem (CID 152755510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).