5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine

C10H13ClN2O — CID 83183731

IUPAC5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine
SMILESCc1nc(OCC2CC2)ncc1CCl
InChIInChI=1S/C10H13ClN2O/c1-7-9(4-11)5-12-10(13-7)14-6-8-2-3-8/h5,8H,2-4,6H2,1H3
InChIKeySVXJAJNOVYQVPT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.31
Rot. Bonds4

About 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine

5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine (PubChem CID 83183731) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine
PubChem CID83183731
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine
SMILESCc1nc(OCC2CC2)ncc1CCl
InChIInChI=1S/C10H13ClN2O/c1-7-9(4-11)5-12-10(13-7)14-6-8-2-3-8/h5,8H,2-4,6H2,1H3
InChIKeySVXJAJNOVYQVPT-UHFFFAOYSA-N
XLogP2.31
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine 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 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine (CID 83183731) is 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine is Cc1nc(OCC2CC2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine?
The InChIKey is SVXJAJNOVYQVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7-9(4-11)5-12-10(13-7)14-6-8-2-3-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine?
5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine has a molecular weight of 212.68 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(cyclopropylmethoxy)-4-methylpyrimidine is sourced from PubChem (CID 83183731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).