5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride

C22H24ClN5O2 — CID 24889345

IUPAC5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1cccc(C)c1CNc1cc(-c2c[nH]c(=O)[nH]c2=O)cn2c(C)c(C)nc12.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-12-6-5-7-13(2)17(12)9-23-19-8-16(18-10-24-22(29)26-21(18)28)11-27-15(4)14(3)25-20(19)27;/h5-8,10-11,23H,9H2,1-4H3,(H2,24,26,28,29);1H
InChIKeyGLBNINSIIADSGX-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.65
Rot. Bonds4

About 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride

5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride (PubChem CID 24889345) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride
PubChem CID24889345
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride
SMILESCc1cccc(C)c1CNc1cc(-c2c[nH]c(=O)[nH]c2=O)cn2c(C)c(C)nc12.Cl
InChIInChI=1S/C22H23N5O2.ClH/c1-12-6-5-7-13(2)17(12)9-23-19-8-16(18-10-24-22(29)26-21(18)28)11-27-15(4)14(3)25-20(19)27;/h5-8,10-11,23H,9H2,1-4H3,(H2,24,26,28,29);1H
InChIKeyGLBNINSIIADSGX-UHFFFAOYSA-N
XLogP3.65
TPSA95.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The IUPAC name of 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride (CID 24889345) is 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride is Cc1cccc(C)c1CNc1cc(-c2c[nH]c(=O)[nH]c2=O)cn2c(C)c(C)nc12.Cl.
What is the InChIKey of 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
The InChIKey is GLBNINSIIADSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.ClH/c1-12-6-5-7-13(2)17(12)9-23-19-8-16(18-10-24-22(29)26-21(18)28)11-27-15(4)14(3)25-20(19)27;/h5-8,10-11,23H,9H2,1-4H3,(H2,24,26,28,29);1H.
What are the key properties of 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride?
5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride has a molecular weight of 425.92 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]-1H-pyrimidine-2,4-dione;hydrochloride is sourced from PubChem (CID 24889345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).