(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone

C15H20ClN5O2 — CID 56892458

IUPAC(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2cn3cc(Cl)cnc3n2)C1
InChIInChI=1S/C15H20ClN5O2/c1-19(2)9-15(23)4-3-5-20(10-15)13(22)12-8-21-7-11(16)6-17-14(21)18-12/h6-8,23H,3-5,9-10H2,1-2H3
InChIKeyDULMZDHURDHRNV-UHFFFAOYSA-N
MW337.81 g/mol
LogP0.91
Rot. Bonds3

About (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone

(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone (PubChem CID 56892458) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
PubChem CID56892458
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone
SMILESCN(C)CC1(O)CCCN(C(=O)c2cn3cc(Cl)cnc3n2)C1
InChIInChI=1S/C15H20ClN5O2/c1-19(2)9-15(23)4-3-5-20(10-15)13(22)12-8-21-7-11(16)6-17-14(21)18-12/h6-8,23H,3-5,9-10H2,1-2H3
InChIKeyDULMZDHURDHRNV-UHFFFAOYSA-N
XLogP0.91
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone (CID 56892458) is (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone is CN(C)CC1(O)CCCN(C(=O)c2cn3cc(Cl)cnc3n2)C1.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is DULMZDHURDHRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-19(2)9-15(23)4-3-5-20(10-15)13(22)12-8-21-7-11(16)6-17-14(21)18-12/h6-8,23H,3-5,9-10H2,1-2H3.
What are the key properties of (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone?
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 337.81 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyrimidin-2-yl)-[3-[(dimethylamino)methyl]-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 56892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).