2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride

C13H21Cl2N3O — CID 71638609

IUPAC2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
SMILESCc1cc(OCCCC2CCCCN2)nc(Cl)n1.Cl
InChIInChI=1S/C13H20ClN3O.ClH/c1-10-9-12(17-13(14)16-10)18-8-4-6-11-5-2-3-7-15-11;/h9,11,15H,2-8H2,1H3;1H
InChIKeyGIQIEUHKMPLKDG-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.16
Rot. Bonds5

About 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride

2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride (PubChem CID 71638609) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
PubChem CID71638609
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride
SMILESCc1cc(OCCCC2CCCCN2)nc(Cl)n1.Cl
InChIInChI=1S/C13H20ClN3O.ClH/c1-10-9-12(17-13(14)16-10)18-8-4-6-11-5-2-3-7-15-11;/h9,11,15H,2-8H2,1H3;1H
InChIKeyGIQIEUHKMPLKDG-UHFFFAOYSA-N
XLogP3.16
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride 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

2-chloro-4-methyl-6-[[(2R)-piperidin-2-yl]methoxy]pyrimidine
CID 97162856
2-chloro-4-(2-cyclobutylethoxy)-6-methylpyrimidine
CID 106201441
4-ethoxy-2-methyl-6-(2-piperidin-2-ylethoxy)pyrimidine
CID 66333125
4-methyl-2-[3-[(2R)-piperidin-2-yl]propoxy]pyrimidine
CID 97163202
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
2-chloro-N,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71641823
4,6-dimethyl-2-(2-piperidin-2-ylethylsulfanyl)pyrimidine;hydrochloride
CID 72716590
2-chloro-N,6-dimethyl-N-[[(2S)-piperidin-2-yl]methyl]pyrimidin-4-amine
CID 97164147
2-chloro-4-methyl-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyrimidine
CID 62477621
2,4-dimethyl-6-(pyrrolidin-2-ylmethoxy)pyrimidine
CID 62348060
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride?
The IUPAC name of 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride (CID 71638609) is 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride?
The canonical SMILES for 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride is Cc1cc(OCCCC2CCCCN2)nc(Cl)n1.Cl.
What is the InChIKey of 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride?
The InChIKey is GIQIEUHKMPLKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O.ClH/c1-10-9-12(17-13(14)16-10)18-8-4-6-11-5-2-3-7-15-11;/h9,11,15H,2-8H2,1H3;1H.
What are the key properties of 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride?
2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride has a molecular weight of 306.24 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-(3-piperidin-2-ylpropoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 71638609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).