2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine

C20H28N6O2 — CID 87089450

IUPAC2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
SMILESCNCCOc1nc(/C(=N\N)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-14-4-5-16(12-15(14)2)19(25-21)17-13-18(26-7-10-27-11-8-26)24-20(23-17)28-9-6-22-3/h4-5,12-13,22H,6-11,21H2,1-3H3/b25-19-
InChIKeyFXXZHDNHZAHFMU-PLRJNAJWSA-N
MW384.48 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine

2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine (PubChem CID 87089450) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
PubChem CID87089450
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
SMILESCNCCOc1nc(/C(=N\N)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H28N6O2/c1-14-4-5-16(12-15(14)2)19(25-21)17-13-18(26-7-10-27-11-8-26)24-20(23-17)28-9-6-22-3/h4-5,12-13,22H,6-11,21H2,1-3H3/b25-19-
InChIKeyFXXZHDNHZAHFMU-PLRJNAJWSA-N
XLogP1.24
TPSA97.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

2-[4-[(E)-C-(4,5-dimethylfuran-2-yl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine
CID 87089565
2-[C-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
CID 140590651
2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491617
3-[(E)-C-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]carbonohydrazonoyl]benzoic acid
CID 87105215
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869875
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
CID 90491744
3-methyl-N-[(E)-[4-[2-(methylamino)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]methylideneamino]aniline
CID 11187877
5-ethoxy-2-[(E)-C-(6-morpholin-4-ylpyrimidin-4-yl)carbonohydrazonoyl]phenol
CID 135801708
2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethanamine
CID 121206116
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 112912114
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
CID 90491761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine (CID 87089450) is 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine is CNCCOc1nc(/C(=N\N)c2ccc(C)c(C)c2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
The InChIKey is FXXZHDNHZAHFMU-PLRJNAJWSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-14-4-5-16(12-15(14)2)19(25-21)17-13-18(26-7-10-27-11-8-26)24-20(23-17)28-9-6-22-3/h4-5,12-13,22H,6-11,21H2,1-3H3/b25-19-.
What are the key properties of 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine?
2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine has a molecular weight of 384.48 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-(3,4-dimethylphenyl)carbonohydrazonoyl]-6-morpholin-4-ylpyrimidin-2-yl]oxy-N-methylethanamine is sourced from PubChem (CID 87089450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).