2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine

C7H8ClN3O — CID 59681744

IUPAC2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine
SMILESCO/C=C/c1cnc(Cl)nc1N
InChIInChI=1S/C7H8ClN3O/c1-12-3-2-5-4-10-7(8)11-6(5)9/h2-4H,1H3,(H2,9,10,11)/b3-2+
InChIKeyPSUZQQFJLIIRHY-NSCUHMNNSA-N
MW185.61 g/mol
LogP1.33
Rot. Bonds2

About 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine

2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine (PubChem CID 59681744) has the molecular formula C7H8ClN3O and a molecular weight of 185.61 g/mol. Its IUPAC name is 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine
PubChem CID59681744
Molecular FormulaC7H8ClN3O
Molecular Weight185.61 g/mol
Exact Mass185.04
IUPAC Name2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine
SMILESCO/C=C/c1cnc(Cl)nc1N
InChIInChI=1S/C7H8ClN3O/c1-12-3-2-5-4-10-7(8)11-6(5)9/h2-4H,1H3,(H2,9,10,11)/b3-2+
InChIKeyPSUZQQFJLIIRHY-NSCUHMNNSA-N
XLogP1.33
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine (CID 59681744) is 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine is CO/C=C/c1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine?
The InChIKey is PSUZQQFJLIIRHY-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H8ClN3O/c1-12-3-2-5-4-10-7(8)11-6(5)9/h2-4H,1H3,(H2,9,10,11)/b3-2+.
What are the key properties of 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine?
2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine has a molecular weight of 185.61 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(E)-2-methoxyethenyl]pyrimidin-4-amine is sourced from PubChem (CID 59681744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).