4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine

C13H14ClN5 — CID 175342274

IUPAC4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
SMILESClc1cc(N2CCNCC2)nc(-c2cccnc2)n1
InChIInChI=1S/C13H14ClN5/c14-11-8-12(19-6-4-15-5-7-19)18-13(17-11)10-2-1-3-16-9-10/h1-3,8-9,15H,4-7H2
InChIKeyBBTXBSYKYMCGLI-UHFFFAOYSA-N
MW275.74 g/mol
LogP1.60
Rot. Bonds2

About 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine

4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine (PubChem CID 175342274) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
PubChem CID175342274
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
SMILESClc1cc(N2CCNCC2)nc(-c2cccnc2)n1
InChIInChI=1S/C13H14ClN5/c14-11-8-12(19-6-4-15-5-7-19)18-13(17-11)10-2-1-3-16-9-10/h1-3,8-9,15H,4-7H2
InChIKeyBBTXBSYKYMCGLI-UHFFFAOYSA-N
XLogP1.60
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine (CID 175342274) is 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine is Clc1cc(N2CCNCC2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
The InChIKey is BBTXBSYKYMCGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c14-11-8-12(19-6-4-15-5-7-19)18-13(17-11)10-2-1-3-16-9-10/h1-3,8-9,15H,4-7H2.
What are the key properties of 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine?
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine has a molecular weight of 275.74 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 175342274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).