2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C23H24N6O — CID 46231499

IUPAC2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C(C)C)n1
InChIInChI=1S/C23H24N6O/c1-14(2)20-10-19(8-15(3)27-20)23(21(30)29(4)22(24)28-23)18-7-5-6-16(9-18)17-11-25-13-26-12-17/h5-14H,1-4H3,(H2,24,28)
InChIKeyVXCKGUCJPIJYJT-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.00
Rot. Bonds4

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

2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 46231499) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID46231499
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C(C)C)n1
InChIInChI=1S/C23H24N6O/c1-14(2)20-10-19(8-15(3)27-20)23(21(30)29(4)22(24)28-23)18-7-5-6-16(9-18)17-11-25-13-26-12-17/h5-14H,1-4H3,(H2,24,28)
InChIKeyVXCKGUCJPIJYJT-UHFFFAOYSA-N
XLogP3.00
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 46231499) is 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is Cc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)cc(C(C)C)n1.
What is the InChIKey of 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is VXCKGUCJPIJYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14(2)20-10-19(8-15(3)27-20)23(21(30)29(4)22(24)28-23)18-7-5-6-16(9-18)17-11-25-13-26-12-17/h5-14H,1-4H3,(H2,24,28).
What are the key properties of 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 400.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-5-(2-methyl-6-propan-2-yl-4-pyridinyl)-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 46231499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).