4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine

C16H20ClN5 — CID 77088933

IUPAC4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
SMILESCCc1nccc(CN2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-2-15-18-6-5-14(20-15)12-21-7-9-22(10-8-21)16-4-3-13(17)11-19-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeyJBWUXGILMGVLAE-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.41
Rot. Bonds4

About 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine

4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine (PubChem CID 77088933) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine.

Molecular Properties

Compound Name4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
PubChem CID77088933
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine
SMILESCCc1nccc(CN2CCN(c3ccc(Cl)cn3)CC2)n1
InChIInChI=1S/C16H20ClN5/c1-2-15-18-6-5-14(20-15)12-21-7-9-22(10-8-21)16-4-3-13(17)11-19-16/h3-6,11H,2,7-10,12H2,1H3
InChIKeyJBWUXGILMGVLAE-UHFFFAOYSA-N
XLogP2.41
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine 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-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpropan-2-ol
CID 63237417
2-ethyl-4-[[4-(2-phenylethyl)piperazin-1-yl]methyl]pyrimidine
CID 91779694
5-chloro-4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]thiadiazole
CID 56820417
1-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-2-amine
CID 82167513
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
N-ethyl-2-[4-[(2-ethylpyrimidin-4-yl)methyl]piperazin-1-yl]acetamide
CID 77084591
2-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86850460
N-[4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 122157779
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-4-(4-methylpiperazin-1-yl)pyrimidine
CID 166601472
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methanesulfinate
CID 174401192
(2S,6R)-4-[(2-ethylpyrimidin-4-yl)methyl]-4-azatricyclo[5.2.2.02,6]undecane
CID 56876552
3-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 19958504

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine?
The IUPAC name of 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine (CID 77088933) is 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine.
What is the SMILES notation for 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine?
The canonical SMILES for 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine is CCc1nccc(CN2CCN(c3ccc(Cl)cn3)CC2)n1.
What is the InChIKey of 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine?
The InChIKey is JBWUXGILMGVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-2-15-18-6-5-14(20-15)12-21-7-9-22(10-8-21)16-4-3-13(17)11-19-16/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine?
4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine has a molecular weight of 317.82 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloro-2-pyridinyl)piperazin-1-yl]methyl]-2-ethylpyrimidine is sourced from PubChem (CID 77088933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).