1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C13H21ClN4 — CID 114220038

IUPAC1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1cc(CCl)nc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C13H21ClN4/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(18)9-17(2)3/h7,12H,4-6,8-9H2,1-3H3
InChIKeyGLLNZMATECYTCY-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.05
Rot. Bonds4

About 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 114220038) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID114220038
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCc1cc(CCl)nc(N2CCCC2CN(C)C)n1
InChIInChI=1S/C13H21ClN4/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(18)9-17(2)3/h7,12H,4-6,8-9H2,1-3H3
InChIKeyGLLNZMATECYTCY-UHFFFAOYSA-N
XLogP2.05
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine 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-[1-[4-(chloromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890368
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-4,6-dimethylpyridine-3-carboxylic acid
CID 62890033
1-[1-[4,6-dimethyl-3-(methylaminomethyl)-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62889389
2-[2-(3-chloropropyl)pyrrolidin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 112635563
1-[1-[5-(aminomethyl)-3-methyl-2-pyridinyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80635655
2-(2-benzylpyrrolidin-1-yl)-4,6-dimethylpyrimidine
CID 78848726
1-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80951641
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1H-1,2,4-triazol-5-amine
CID 66274947

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 114220038) is 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is Cc1cc(CCl)nc(N2CCCC2CN(C)C)n1.
What is the InChIKey of 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is GLLNZMATECYTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-7-11(8-14)16-13(15-10)18-6-4-5-12(18)9-17(2)3/h7,12H,4-6,8-9H2,1-3H3.
What are the key properties of 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 268.79 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(chloromethyl)-6-methylpyrimidin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 114220038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).