4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine

C12H9Cl3N4O — CID 126962331

IUPAC4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine
SMILESCO/N=C/c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N4O/c1-20-17-5-8-10(18-12(16)19-11(8)15)7-3-2-6(13)4-9(7)14/h2-5H,1H3,(H2,16,18,19)/b17-5+
InChIKeyCPBOJALZSACSMZ-YAXRCOADSA-N
MW331.59 g/mol
LogP3.67
Rot. Bonds3

About 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine

4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine (PubChem CID 126962331) has the molecular formula C12H9Cl3N4O and a molecular weight of 331.59 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine
PubChem CID126962331
Molecular FormulaC12H9Cl3N4O
Molecular Weight331.59 g/mol
Exact Mass329.98
IUPAC Name4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine
SMILESCO/N=C/c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C12H9Cl3N4O/c1-20-17-5-8-10(18-12(16)19-11(8)15)7-3-2-6(13)4-9(7)14/h2-5H,1H3,(H2,16,18,19)/b17-5+
InChIKeyCPBOJALZSACSMZ-YAXRCOADSA-N
XLogP3.67
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.59
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine (CID 126962331) is 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine is CO/N=C/c1c(Cl)nc(N)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine?
The InChIKey is CPBOJALZSACSMZ-YAXRCOADSA-N. The full InChI is InChI=1S/C12H9Cl3N4O/c1-20-17-5-8-10(18-12(16)19-11(8)15)7-3-2-6(13)4-9(7)14/h2-5H,1H3,(H2,16,18,19)/b17-5+.
What are the key properties of 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine?
4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine has a molecular weight of 331.59 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dichlorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidin-2-amine is sourced from PubChem (CID 126962331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).