6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol

C18H26N6O3 — CID 143847124

IUPAC6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(/C=N/Nc2cc(N)nc(OCCN3CCOCC3)n2)C(O)C=C1
InChIInChI=1S/C18H26N6O3/c1-13-2-3-15(25)14(10-13)12-20-23-17-11-16(19)21-18(22-17)27-9-6-24-4-7-26-8-5-24/h2-3,10-12,14-15,25H,4-9H2,1H3,(H3,19,21,22,23)/b20-12+
InChIKeyXVDWHOHHCWOXCB-UDWIEESQSA-N
MW374.45 g/mol
LogP0.66
Rot. Bonds7

About 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol

6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol (PubChem CID 143847124) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol
PubChem CID143847124
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(/C=N/Nc2cc(N)nc(OCCN3CCOCC3)n2)C(O)C=C1
InChIInChI=1S/C18H26N6O3/c1-13-2-3-15(25)14(10-13)12-20-23-17-11-16(19)21-18(22-17)27-9-6-24-4-7-26-8-5-24/h2-3,10-12,14-15,25H,4-9H2,1H3,(H3,19,21,22,23)/b20-12+
InChIKeyXVDWHOHHCWOXCB-UDWIEESQSA-N
XLogP0.66
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol with MolForge

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Related Compounds

N-[(E)-(4,5-dimethyl-2-pyridinyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673923
N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-pyridin-1-ium-4-ylpyrimidin-4-amine
CID 143229882
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
N-[(E)-(2-amino-5-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 11328144
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
N-[(E)-(4,5-dimethylthiophen-2-yl)methylideneamino]-6-(2-morpholin-4-ylethoxy)-4-pyridin-4-ylpyridin-2-amine
CID 58655454
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
4-N,4-N-dimethyl-2-(2-morpholin-4-ylethoxy)pyrimidine-4,6-diamine;(3-methylphenyl)methanimine;molecular hydrogen
CID 143846877
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
5-fluoro-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049314

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol (CID 143847124) is 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol is CC1=CC(/C=N/Nc2cc(N)nc(OCCN3CCOCC3)n2)C(O)C=C1.
What is the InChIKey of 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is XVDWHOHHCWOXCB-UDWIEESQSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-13-2-3-15(25)14(10-13)12-20-23-17-11-16(19)21-18(22-17)27-9-6-24-4-7-26-8-5-24/h2-3,10-12,14-15,25H,4-9H2,1H3,(H3,19,21,22,23)/b20-12+.
What are the key properties of 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol?
6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 374.45 g/mol, XLogP of 0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-[[6-amino-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]methyl]-4-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 143847124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).