2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine

C10H13Cl2N3O — CID 71640390

IUPAC2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
SMILESClc1ncc(COC2CCNCC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3O/c11-9-7(5-14-10(12)15-9)6-16-8-1-3-13-4-2-8/h5,8,13H,1-4,6H2
InChIKeySUTJYMKQMDIONF-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.05
Rot. Bonds3

About 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine

2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine (PubChem CID 71640390) has the molecular formula C10H13Cl2N3O and a molecular weight of 262.14 g/mol. Its IUPAC name is 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
PubChem CID71640390
Molecular FormulaC10H13Cl2N3O
Molecular Weight262.14 g/mol
Exact Mass261.04
IUPAC Name2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine
SMILESClc1ncc(COC2CCNCC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3O/c11-9-7(5-14-10(12)15-9)6-16-8-1-3-13-4-2-8/h5,8,13H,1-4,6H2
InChIKeySUTJYMKQMDIONF-UHFFFAOYSA-N
XLogP2.05
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine (CID 71640390) is 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine is Clc1ncc(COC2CCNCC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine?
The InChIKey is SUTJYMKQMDIONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O/c11-9-7(5-14-10(12)15-9)6-16-8-1-3-13-4-2-8/h5,8,13H,1-4,6H2.
What are the key properties of 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine?
2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine has a molecular weight of 262.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(piperidin-4-yloxymethyl)pyrimidine is sourced from PubChem (CID 71640390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).