4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

C8H12ClN3O — CID 94672674

IUPAC4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-6-5-7(9)12-8(11-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWWZQNAHVILCEHG-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.50
Rot. Bonds4

About 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine

4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (PubChem CID 94672674) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
PubChem CID94672674
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
SMILESCOCCNc1nc(C)cc(Cl)n1
InChIInChI=1S/C8H12ClN3O/c1-6-5-7(9)12-8(11-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyWWZQNAHVILCEHG-UHFFFAOYSA-N
XLogP1.50
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-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 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine (CID 94672674) is 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is COCCNc1nc(C)cc(Cl)n1.
What is the InChIKey of 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
The InChIKey is WWZQNAHVILCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-6-5-7(9)12-8(11-6)10-3-4-13-2/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine?
4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine has a molecular weight of 201.66 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 94672674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).