4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

C11H17ClN4 — CID 64831296

IUPAC4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCCC2CCl)n1
InChIInChI=1S/C11H17ClN4/c1-15(2)11-13-6-5-10(14-11)16-7-3-4-9(16)8-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyAMBOYNKDFIFEOU-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.75
Rot. Bonds3

About 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 64831296) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID64831296
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCCC2CCl)n1
InChIInChI=1S/C11H17ClN4/c1-15(2)11-13-6-5-10(14-11)16-7-3-4-9(16)8-12/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyAMBOYNKDFIFEOU-UHFFFAOYSA-N
XLogP1.75
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-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

4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
N,N-dimethyl-4-[2-(propylaminomethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 64831286
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
2-chloro-4-[(2R)-2-(2-methylpropyl)pyrrolidin-1-yl]pyrimidine
CID 141444822
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
[1-(2-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71644669
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 66329106
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
CID 62342852
[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 62770947
N,N-dimethyl-4-[2-[1-(methylamino)ethyl]piperidin-1-yl]pyrimidin-2-amine
CID 64829451
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-propan-2-yloxypyrimidine
CID 112639218

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 64831296) is 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2CCCC2CCl)n1.
What is the InChIKey of 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is AMBOYNKDFIFEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-15(2)11-13-6-5-10(14-11)16-7-3-4-9(16)8-12/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 240.74 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64831296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).