6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine

C11H13ClN4 — CID 105498517

IUPAC6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine
SMILESClc1cnc2nc(C3CCNCC3)cn2c1
InChIInChI=1S/C11H13ClN4/c12-9-5-14-11-15-10(7-16(11)6-9)8-1-3-13-4-2-8/h5-8,13H,1-4H2
InChIKeyYNVUNBDRBWQNIJ-UHFFFAOYSA-N
MW236.71 g/mol
LogP1.85
Rot. Bonds1

About 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine

6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine (PubChem CID 105498517) has the molecular formula C11H13ClN4 and a molecular weight of 236.71 g/mol. Its IUPAC name is 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine
PubChem CID105498517
Molecular FormulaC11H13ClN4
Molecular Weight236.71 g/mol
Exact Mass236.08
IUPAC Name6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine
SMILESClc1cnc2nc(C3CCNCC3)cn2c1
InChIInChI=1S/C11H13ClN4/c12-9-5-14-11-15-10(7-16(11)6-9)8-1-3-13-4-2-8/h5-8,13H,1-4H2
InChIKeyYNVUNBDRBWQNIJ-UHFFFAOYSA-N
XLogP1.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.71
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine (CID 105498517) is 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine is Clc1cnc2nc(C3CCNCC3)cn2c1.
What is the InChIKey of 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine?
The InChIKey is YNVUNBDRBWQNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-9-5-14-11-15-10(7-16(11)6-9)8-1-3-13-4-2-8/h5-8,13H,1-4H2.
What are the key properties of 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine?
6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine has a molecular weight of 236.71 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-4-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 105498517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).