2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C21H20N6O — CID 15950597

IUPAC2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26)
InChIKeyINKNZABLNYYGBD-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 15950597) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID15950597
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1
InChIInChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26)
InChIKeyINKNZABLNYYGBD-UHFFFAOYSA-N
XLogP2.13
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 11302050
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-(2-pyridinylmethyl)-
CID 11427490
(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
2-(2-aminopyrimidin-4-yl)-1-benzyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190899
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
4-Pyrimidinecarboxamide,2-amino-6-(2-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520947
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520948
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-(2-pyridinylmethyl)-
CID 44520949
4-Pyrimidinecarboxamide,2-amino-6-(3-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520961
4-Pyrimidinecarboxamide,2-amino-6-(4-methylphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520962
4-Pyrimidinecarboxamide,2-amino-6-(3-cyanophenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520969

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 15950597) is 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CCc1cc(C2(c3cccc(-c4cncnc4)c3)N=C(N)N(C)C2=O)ccn1.
What is the InChIKey of 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is INKNZABLNYYGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-3-18-10-17(7-8-25-18)21(19(28)27(2)20(22)26-21)16-6-4-5-14(9-16)15-11-23-13-24-12-15/h4-13H,3H2,1-2H3,(H2,22,26).
What are the key properties of 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-ethyl-4-pyridinyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 15950597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).