N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

C11H18ClN3O3 — CID 114242641

IUPACN-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)CCOCCCl)n1
InChIInChI=1S/C11H18ClN3O3/c1-15(5-7-18-6-4-12)11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3
InChIKeyKZIGMYFYBJLXIW-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.19
Rot. Bonds8

About N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine

N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (PubChem CID 114242641) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
PubChem CID114242641
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC NameN-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine
SMILESCOc1cc(OC)nc(N(C)CCOCCCl)n1
InChIInChI=1S/C11H18ClN3O3/c1-15(5-7-18-6-4-12)11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3
InChIKeyKZIGMYFYBJLXIW-UHFFFAOYSA-N
XLogP1.19
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-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

Related Compounds

N'-(4,6-dimethoxypyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 115355307
3-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]propanenitrile
CID 115354838
N'-(4,6-dimethoxypyrimidin-2-yl)-N-ethyl-N'-methylethane-1,2-diamine
CID 115355568
N-(2-chloroethyl)-N-ethyl-4,6-dimethoxypyrimidin-2-amine
CID 115355694
2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetic acid
CID 115354683
N-butyl-N-(2-chloroethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113293065
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)-methylamino]acetate
CID 115355509
4,6-dimethoxy-N-methyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 171691462
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
N-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141146722
2-(2-chloroethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylethanamine
CID 114242574

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The IUPAC name of N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine (CID 114242641) is N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is COc1cc(OC)nc(N(C)CCOCCCl)n1.
What is the InChIKey of N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
The InChIKey is KZIGMYFYBJLXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3/c1-15(5-7-18-6-4-12)11-13-9(16-2)8-10(14-11)17-3/h8H,4-7H2,1-3H3.
What are the key properties of N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine?
N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine has a molecular weight of 275.74 g/mol, XLogP of 1.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethoxy)ethyl]-4,6-dimethoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 114242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).