2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

C11H17ClN4O2 — CID 102785897

IUPAC2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(C)C2CCl)n1
InChIInChI=1S/C11H17ClN4O2/c1-7-4-5-16(8(7)6-12)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6H2,1-3H3
InChIKeyNTFIWNKKRODHJE-UHFFFAOYSA-N
MW272.74 g/mol
LogP1.34
Rot. Bonds4

About 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine

2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (PubChem CID 102785897) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
PubChem CID102785897
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC Name2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(N2CCC(C)C2CCl)n1
InChIInChI=1S/C11H17ClN4O2/c1-7-4-5-16(8(7)6-12)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6H2,1-3H3
InChIKeyNTFIWNKKRODHJE-UHFFFAOYSA-N
XLogP1.34
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102786850
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790017
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-6-methoxypyrazine
CID 102786075
4-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]pyridine
CID 102785783
1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776654
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63390254
4-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-5-chloro-2-methoxypyrimidine
CID 102786275
2-[3-(chloromethyl)piperidin-1-yl]-4,6-dimethoxy-1,3,5-triazine
CID 63392500
2,4-dimethoxy-6-(4-methylpiperidin-1-yl)-1,3,5-triazine
CID 141014855
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
2-(chloromethyl)-1-(2-methoxyethyl)-3-methylpyrrolidine
CID 102784971
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 102786618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine (CID 102785897) is 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(N2CCC(C)C2CCl)n1.
What is the InChIKey of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is NTFIWNKKRODHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-7-4-5-16(8(7)6-12)9-13-10(17-2)15-11(14-9)18-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine?
2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 272.74 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 102785897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).