2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine

C10H13Cl2N3 — CID 134970194

IUPAC2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine
SMILESClc1ncc(CN2CCCCC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3/c11-9-8(6-13-10(12)14-9)7-15-4-2-1-3-5-15/h6H,1-5,7H2
InChIKeyXXJPUPFEZSJWOX-UHFFFAOYSA-N
MW246.14 g/mol
LogP2.77
Rot. Bonds2

About 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine

2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine (PubChem CID 134970194) has the molecular formula C10H13Cl2N3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine
PubChem CID134970194
Molecular FormulaC10H13Cl2N3
Molecular Weight246.14 g/mol
Exact Mass245.05
IUPAC Name2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine
SMILESClc1ncc(CN2CCCCC2)c(Cl)n1
InChIInChI=1S/C10H13Cl2N3/c11-9-8(6-13-10(12)14-9)7-15-4-2-1-3-5-15/h6H,1-5,7H2
InChIKeyXXJPUPFEZSJWOX-UHFFFAOYSA-N
XLogP2.77
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine?
The IUPAC name of 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine (CID 134970194) is 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine is Clc1ncc(CN2CCCCC2)c(Cl)n1.
What is the InChIKey of 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine?
The InChIKey is XXJPUPFEZSJWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3/c11-9-8(6-13-10(12)14-9)7-15-4-2-1-3-5-15/h6H,1-5,7H2.
What are the key properties of 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine?
2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine has a molecular weight of 246.14 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(piperidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 134970194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).