5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

C16H18N4O3 — CID 59003849

IUPAC5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccc(Oc2ncnc(N)c2/C=N/OC)c(OC)c1
InChIInChI=1S/C16H18N4O3/c1-4-5-11-6-7-13(14(8-11)21-2)23-16-12(9-20-22-3)15(17)18-10-19-16/h4-10H,1-3H3,(H2,17,18,19)/b5-4+,20-9+
InChIKeyMVOUXYFEOIUEKQ-RIFULFGISA-N
MW314.35 g/mol
LogP2.87
Rot. Bonds6

About 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine

5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (PubChem CID 59003849) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
PubChem CID59003849
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine
SMILESC/C=C/c1ccc(Oc2ncnc(N)c2/C=N/OC)c(OC)c1
InChIInChI=1S/C16H18N4O3/c1-4-5-11-6-7-13(14(8-11)21-2)23-16-12(9-20-22-3)15(17)18-10-19-16/h4-10H,1-3H3,(H2,17,18,19)/b5-4+,20-9+
InChIKeyMVOUXYFEOIUEKQ-RIFULFGISA-N
XLogP2.87
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.87
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

6-(4-ethyl-2-methoxyphenoxy)-5-[(Z)-methoxyiminomethyl]pyrimidin-4-amine
CID 87389846
4-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-methoxyphenyl]butan-2-one
CID 59003841
4-N-(3,4-dimethoxyphenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 59011917
5-(methoxyiminomethyl)-6-quinolin-7-yloxypyrimidin-4-amine
CID 74077314
2-methoxy-5-prop-1-enylaniline
CID 853489
2-methoxy-5-[(Z)-prop-1-enyl]aniline
CID 45052602
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
1-N'-[4-[6-amino-5-[(E)-methoxyiminomethyl]pyrimidin-4-yl]oxy-3-fluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 71678017
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethanamine
CID 62582661
6-[(2,5-dichlorophenyl)methoxy]-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
CID 59003803
5-[6-amino-5-(methoxyiminomethyl)pyrimidin-4-yl]oxy-4-fluoro-N,2-dimethylindole-1-carboxamide
CID 75037953
ethyl 3-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-3-methoxyphenyl]prop-2-enoate
CID 141450461

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The IUPAC name of 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine (CID 59003849) is 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The canonical SMILES for 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is C/C=C/c1ccc(Oc2ncnc(N)c2/C=N/OC)c(OC)c1.
What is the InChIKey of 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
The InChIKey is MVOUXYFEOIUEKQ-RIFULFGISA-N. The full InChI is InChI=1S/C16H18N4O3/c1-4-5-11-6-7-13(14(8-11)21-2)23-16-12(9-20-22-3)15(17)18-10-19-16/h4-10H,1-3H3,(H2,17,18,19)/b5-4+,20-9+.
What are the key properties of 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine?
5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine has a molecular weight of 314.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-methoxyiminomethyl]-6-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]pyrimidin-4-amine is sourced from PubChem (CID 59003849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).