2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine

C13H20ClN3O2 — CID 86672125

IUPAC2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
SMILESCCO/C=C/c1cnc(Cl)nc1NC(C)(C)COC
InChIInChI=1S/C13H20ClN3O2/c1-5-19-7-6-10-8-15-12(14)16-11(10)17-13(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,16,17)/b7-6+
InChIKeyVZVLDWRCJNPTLF-VOTSOKGWSA-N
MW285.78 g/mol
LogP2.97
Rot. Bonds7

About 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine

2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine (PubChem CID 86672125) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
PubChem CID86672125
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine
SMILESCCO/C=C/c1cnc(Cl)nc1NC(C)(C)COC
InChIInChI=1S/C13H20ClN3O2/c1-5-19-7-6-10-8-15-12(14)16-11(10)17-13(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,16,17)/b7-6+
InChIKeyVZVLDWRCJNPTLF-VOTSOKGWSA-N
XLogP2.97
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine (CID 86672125) is 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine is CCO/C=C/c1cnc(Cl)nc1NC(C)(C)COC.
What is the InChIKey of 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
The InChIKey is VZVLDWRCJNPTLF-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-5-19-7-6-10-8-15-12(14)16-11(10)17-13(2,3)9-18-4/h6-8H,5,9H2,1-4H3,(H,15,16,17)/b7-6+.
What are the key properties of 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine?
2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine has a molecular weight of 285.78 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(E)-2-ethoxyethenyl]-N-(1-methoxy-2-methylpropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 86672125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).