6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

C12H12ClN5O2 — CID 59003787

IUPAC6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(N)c(Cl)c1
InChIInChI=1S/C12H12ClN5O2/c1-19-18-5-8-11(15)16-6-17-12(8)20-7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3,(H2,15,16,17)/b18-5+
InChIKeyMKYRCNNFVBONFU-BLLMUTORSA-N
MW293.71 g/mol
LogP2.07
Rot. Bonds4

About 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine

6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (PubChem CID 59003787) has the molecular formula C12H12ClN5O2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
PubChem CID59003787
Molecular FormulaC12H12ClN5O2
Molecular Weight293.71 g/mol
Exact Mass293.07
IUPAC Name6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
SMILESCO/N=C/c1c(N)ncnc1Oc1ccc(N)c(Cl)c1
InChIInChI=1S/C12H12ClN5O2/c1-19-18-5-8-11(15)16-6-17-12(8)20-7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3,(H2,15,16,17)/b18-5+
InChIKeyMKYRCNNFVBONFU-BLLMUTORSA-N
XLogP2.07
TPSA108.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The IUPAC name of 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine (CID 59003787) is 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The canonical SMILES for 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is CO/N=C/c1c(N)ncnc1Oc1ccc(N)c(Cl)c1.
What is the InChIKey of 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
The InChIKey is MKYRCNNFVBONFU-BLLMUTORSA-N. The full InChI is InChI=1S/C12H12ClN5O2/c1-19-18-5-8-11(15)16-6-17-12(8)20-7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3,(H2,15,16,17)/b18-5+.
What are the key properties of 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine?
6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine has a molecular weight of 293.71 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine is sourced from PubChem (CID 59003787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).