4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine

C11H17ClN4 — CID 124832471

IUPAC4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
SMILESCCN1CCN(c2cc(Cl)ncn2)C[C@H]1C
InChIInChI=1S/C11H17ClN4/c1-3-15-4-5-16(7-9(15)2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyIUGCGTHWIPOSIF-SECBINFHSA-N
MW240.74 g/mol
LogP1.66
Rot. Bonds2

About 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine

4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine (PubChem CID 124832471) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
PubChem CID124832471
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine
SMILESCCN1CCN(c2cc(Cl)ncn2)C[C@H]1C
InChIInChI=1S/C11H17ClN4/c1-3-15-4-5-16(7-9(15)2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1
InChIKeyIUGCGTHWIPOSIF-SECBINFHSA-N
XLogP1.66
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine 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-chloro-5-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)pyrimidine
CID 63728895
N-[[5-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 114926454
2-chloro-6-(4-ethyl-3-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 63620736
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
4-chloro-6-(3,5-dimethylpiperazin-1-yl)pyrimidine
CID 76837839
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
5-chloro-7-(4-ethyl-3-methylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918842
4-chloro-6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 64596616
[6-(4-ethyl-3-methylpiperazin-1-yl)-3-pyridinyl]methanol
CID 55218133
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]ethanamine
CID 63619417
4-methyl-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrimidine
CID 133431510
4-chloro-6-[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 129497002

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine (CID 124832471) is 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine is CCN1CCN(c2cc(Cl)ncn2)C[C@H]1C.
What is the InChIKey of 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine?
The InChIKey is IUGCGTHWIPOSIF-SECBINFHSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-3-15-4-5-16(7-9(15)2)11-6-10(12)13-8-14-11/h6,8-9H,3-5,7H2,1-2H3/t9-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine?
4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine has a molecular weight of 240.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-4-ethyl-3-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 124832471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).