4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine

C11H16ClN3 — CID 115689812

IUPAC4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C11H16ClN3/c1-3-9-4-5-15(7-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3
InChIKeySWOMJHAVEDLNDJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.67
Rot. Bonds2

About 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine

4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine (PubChem CID 115689812) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
PubChem CID115689812
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine
SMILESCCC1CCN(c2cc(Cl)nc(C)n2)C1
InChIInChI=1S/C11H16ClN3/c1-3-9-4-5-15(7-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3
InChIKeySWOMJHAVEDLNDJ-UHFFFAOYSA-N
XLogP2.67
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine 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

[(3R)-1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 129393742
4-chloro-6-[(3S)-3-(ethoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129471026
4-chloro-6-(3-methoxypyrrolidin-1-yl)-2-methylpyrimidine
CID 108773094
4-(6-chloro-2-methylpyrimidin-4-yl)-2-ethylmorpholine
CID 62482337
6-(3-ethylpiperidin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 80793429
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 133356015
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133302102
2-tert-butyl-4-(chloromethyl)-6-(3-ethylpyrrolidin-1-yl)pyridine
CID 113418493
2-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylacetamide
CID 133442555
4-chloro-2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyrimidine
CID 133465338

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine (CID 115689812) is 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine is CCC1CCN(c2cc(Cl)nc(C)n2)C1.
What is the InChIKey of 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine?
The InChIKey is SWOMJHAVEDLNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-3-9-4-5-15(7-9)11-6-10(12)13-8(2)14-11/h6,9H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine?
4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine has a molecular weight of 225.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-ethylpyrrolidin-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 115689812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).