2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine

C13H19Cl2N3O2 — CID 118936843

IUPAC2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOCCOC1CCN(Cc2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2/c1-19-6-7-20-11-2-4-18(5-3-11)9-10-8-16-13(15)17-12(10)14/h8,11H,2-7,9H2,1H3
InChIKeyCTYBMGRKOQKYBU-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.41
Rot. Bonds6

About 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine

2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine (PubChem CID 118936843) has the molecular formula C13H19Cl2N3O2 and a molecular weight of 320.22 g/mol. Its IUPAC name is 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
PubChem CID118936843
Molecular FormulaC13H19Cl2N3O2
Molecular Weight320.22 g/mol
Exact Mass319.09
IUPAC Name2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine
SMILESCOCCOC1CCN(Cc2cnc(Cl)nc2Cl)CC1
InChIInChI=1S/C13H19Cl2N3O2/c1-19-6-7-20-11-2-4-18(5-3-11)9-10-8-16-13(15)17-12(10)14/h8,11H,2-7,9H2,1H3
InChIKeyCTYBMGRKOQKYBU-UHFFFAOYSA-N
XLogP2.41
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine?
The IUPAC name of 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine (CID 118936843) is 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine?
The canonical SMILES for 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine is COCCOC1CCN(Cc2cnc(Cl)nc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine?
The InChIKey is CTYBMGRKOQKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2N3O2/c1-19-6-7-20-11-2-4-18(5-3-11)9-10-8-16-13(15)17-12(10)14/h8,11H,2-7,9H2,1H3.
What are the key properties of 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine?
2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine has a molecular weight of 320.22 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]pyrimidine is sourced from PubChem (CID 118936843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).