2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine

C13H19Cl2N3O — CID 97163874

IUPAC2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
SMILESClc1ncc(COCCC[C@H]2CCCNC2)c(Cl)n1
InChIInChI=1S/C13H19Cl2N3O/c14-12-11(8-17-13(15)18-12)9-19-6-2-4-10-3-1-5-16-7-10/h8,10,16H,1-7,9H2/t10-/m1/s1
InChIKeyJXOLCXIZVLZTIM-SNVBAGLBSA-N
MW304.22 g/mol
LogP3.08
Rot. Bonds6

About 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine

2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine (PubChem CID 97163874) has the molecular formula C13H19Cl2N3O and a molecular weight of 304.22 g/mol. Its IUPAC name is 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
PubChem CID97163874
Molecular FormulaC13H19Cl2N3O
Molecular Weight304.22 g/mol
Exact Mass303.09
IUPAC Name2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
SMILESClc1ncc(COCCC[C@H]2CCCNC2)c(Cl)n1
InChIInChI=1S/C13H19Cl2N3O/c14-12-11(8-17-13(15)18-12)9-19-6-2-4-10-3-1-5-16-7-10/h8,10,16H,1-7,9H2/t10-/m1/s1
InChIKeyJXOLCXIZVLZTIM-SNVBAGLBSA-N
XLogP3.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-(pyrrolidin-3-ylmethoxymethyl)pyrimidine;hydrochloride
CID 71640400
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
2,4-dichloro-5-(pyrrolidin-3-yloxymethyl)pyrimidine;hydrochloride
CID 71640385
2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
CID 71640390
4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
CID 97163561
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
(3S)-3-[2-[(2,4-dichlorophenyl)methoxy]ethyl]piperidine
CID 86320757
8-(2-piperidin-3-ylethoxymethyl)quinoline
CID 62356483
2-bromo-4-(3-piperidin-3-ylpropoxymethyl)pyridine;hydrochloride
CID 71636545
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine (CID 97163874) is 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine is Clc1ncc(COCCC[C@H]2CCCNC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine?
The InChIKey is JXOLCXIZVLZTIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19Cl2N3O/c14-12-11(8-17-13(15)18-12)9-19-6-2-4-10-3-1-5-16-7-10/h8,10,16H,1-7,9H2/t10-/m1/s1.
What are the key properties of 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine?
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine has a molecular weight of 304.22 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine is sourced from PubChem (CID 97163874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).