6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine

C15H18N4O3 — CID 87389846

IUPAC6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCCc1ccc(Oc2ncnc(N)c2/C=N\OC)c(OC)c1
InChIInChI=1S/C15H18N4O3/c1-4-10-5-6-12(13(7-10)20-2)22-15-11(8-19-21-3)14(16)17-9-18-15/h5-9H,4H2,1-3H3,(H2,16,17,18)/b19-8-
InChIKeyLOYKIISSLPIEGM-UWVJOHFNSA-N
MW302.33 g/mol
LogP2.40
Rot. Bonds6

About 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine

6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 87389846) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID87389846
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCCc1ccc(Oc2ncnc(N)c2/C=N\OC)c(OC)c1
InChIInChI=1S/C15H18N4O3/c1-4-10-5-6-12(13(7-10)20-2)22-15-11(8-19-21-3)14(16)17-9-18-15/h5-9H,4H2,1-3H3,(H2,16,17,18)/b19-8-
InChIKeyLOYKIISSLPIEGM-UWVJOHFNSA-N
XLogP2.40
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-methoxyphenyl]butan-2-one
CID 59003841
5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
CID 59003849
[4-(6-amino-5-ethylpyrimidin-4-yl)oxy-3-methoxyphenyl]methanol
CID 107745155
4-N-(3,4-dimethoxyphenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 59011917
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-3-amine
CID 107663853
[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxyphenyl] N-ethylcarbamate
CID 44511486
6-[(2,5-dichlorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
CID 59003803
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyridin-3-amine
CID 107663831
2-(4-ethyl-2-methoxyphenoxy)-1,3-thiazol-5-amine
CID 107663780
2-(4-ethyl-2-methoxyphenoxy)-5-methylpyridin-4-amine
CID 107663796
5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide
CID 75037953
6-(4-ethyl-2-methoxyphenoxy)hexane-1-thiol
CID 107669500

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine (CID 87389846) is 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine is CCc1ccc(Oc2ncnc(N)c2/C=N\OC)c(OC)c1.
What is the InChIKey of 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is LOYKIISSLPIEGM-UWVJOHFNSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-4-10-5-6-12(13(7-10)20-2)22-15-11(8-19-21-3)14(16)17-9-18-15/h5-9H,4H2,1-3H3,(H2,16,17,18)/b19-8-.
What are the key properties of 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine?
6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 302.33 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 87389846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).