2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C21H20N6O — CID 15950662

IUPAC2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26)
InChIKeyAZEJJBDMXZISKY-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 15950662) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID15950662
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26)
InChIKeyAZEJJBDMXZISKY-UHFFFAOYSA-N
XLogP2.19
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 15950662) is 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C)n1.
What is the InChIKey of 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is AZEJJBDMXZISKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-13-7-18(8-14(2)25-13)21(19(28)27(3)20(22)26-21)17-6-4-5-15(9-17)16-10-23-12-24-11-16/h4-12H,1-3H3,(H2,22,26).
What are the key properties of 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2,6-dimethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 15950662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).