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

C8H10ClN3O — CID 11287109

IUPAC2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
SMILESCCO/C=C/c1cnc(Cl)nc1N
InChIInChI=1S/C8H10ClN3O/c1-2-13-4-3-6-5-11-8(9)12-7(6)10/h3-5H,2H2,1H3,(H2,10,11,12)/b4-3+
InChIKeyPZGLKKDFPIMFAL-ONEGZZNKSA-N
MW199.64 g/mol
LogP1.72
Rot. Bonds3

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

2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine (PubChem CID 11287109) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
PubChem CID11287109
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine
SMILESCCO/C=C/c1cnc(Cl)nc1N
InChIInChI=1S/C8H10ClN3O/c1-2-13-4-3-6-5-11-8(9)12-7(6)10/h3-5H,2H2,1H3,(H2,10,11,12)/b4-3+
InChIKeyPZGLKKDFPIMFAL-ONEGZZNKSA-N
XLogP1.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.72
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-ethoxyethenyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine (CID 11287109) is 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine is CCO/C=C/c1cnc(Cl)nc1N.
What is the InChIKey of 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine?
The InChIKey is PZGLKKDFPIMFAL-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10ClN3O/c1-2-13-4-3-6-5-11-8(9)12-7(6)10/h3-5H,2H2,1H3,(H2,10,11,12)/b4-3+.
What are the key properties of 2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine?
2-chloro-5-[(E)-2-ethoxyethenyl]pyrimidin-4-amine has a molecular weight of 199.64 g/mol, XLogP of 1.72, 3 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-ethoxyethenyl]pyrimidin-4-amine is sourced from PubChem (CID 11287109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).