(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine

C23H25N5O4 — CID 11510369

IUPAC(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
SMILESCc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCOc3cccnc3)n2)c1
InChIInChI=1S/C23H25N5O4/c1-18-4-2-5-19(14-18)16-25-32-22-15-21(28-8-10-29-11-9-28)26-23(27-22)31-13-12-30-20-6-3-7-24-17-20/h2-7,14-17H,8-13H2,1H3/b25-16+
InChIKeyLKJJUFPEUDDRMN-PCLIKHOPSA-N
MW435.48 g/mol
LogP2.89
Rot. Bonds9

About (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine

(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine (PubChem CID 11510369) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine.

Molecular Properties

Compound Name(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
PubChem CID11510369
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine
SMILESCc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCOc3cccnc3)n2)c1
InChIInChI=1S/C23H25N5O4/c1-18-4-2-5-19(14-18)16-25-32-22-15-21(28-8-10-29-11-9-28)26-23(27-22)31-13-12-30-20-6-3-7-24-17-20/h2-7,14-17H,8-13H2,1H3/b25-16+
InChIKeyLKJJUFPEUDDRMN-PCLIKHOPSA-N
XLogP2.89
TPSA91.19 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

N-[(E)-1H-indol-3-ylmethylideneamino]-N-methyl-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;(E)-1-(1H-indol-3-yl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(1H-indol-3-yl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine;(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]oxymethanimine;1-(3-methylphenyl)-N-[[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]methyl]methanimine
CID 172988232
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
2-[2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-4-yl]oxyethyl morpholine-4-carboxylate
CID 11662808
N-[[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]methyl]-1-(3-methylphenyl)methanimine
CID 58060423
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
5-[(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 140649039
4-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyridin-2-amine;methanesulfonic acid
CID 16662174
3-methyl-N-[(E)-[6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-yl]methylideneamino]aniline
CID 11166016
N-[(3-methylphenyl)methylideneamino]-4-morpholin-4-yl-6-(2-pyridin-2-yloxyethoxy)pyridin-2-amine
CID 66683643

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine?
The IUPAC name of (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine (CID 11510369) is (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine.
What is the SMILES notation for (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine?
The canonical SMILES for (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine is Cc1cccc(/C=N/Oc2cc(N3CCOCC3)nc(OCCOc3cccnc3)n2)c1.
What is the InChIKey of (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine?
The InChIKey is LKJJUFPEUDDRMN-PCLIKHOPSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-18-4-2-5-19(14-18)16-25-32-22-15-21(28-8-10-29-11-9-28)26-23(27-22)31-13-12-30-20-6-3-7-24-17-20/h2-7,14-17H,8-13H2,1H3/b25-16+.
What are the key properties of (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine?
(E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine has a molecular weight of 435.48 g/mol, XLogP of 2.89, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylphenyl)-N-[6-morpholin-4-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-yl]oxymethanimine is sourced from PubChem (CID 11510369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).