2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C20H17FN6O — CID 137394071

IUPAC2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyDWMRYGRLDKJEIO-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.04
Rot. Bonds4

About 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 137394071) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID137394071
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-7,9-12H,8H2,1H3,(H2,22,26)
InChIKeyDWMRYGRLDKJEIO-UHFFFAOYSA-N
XLogP2.04
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one with MolForge

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Related Compounds

4-(4-Fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-YL)-2-piperidin-4-YL-1,2-dihydro-3H-pyrazol-3-one
CID 5326958
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
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-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 137394071) is 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccc(CF)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is DWMRYGRLDKJEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-17(8-21)25-11-16)15-4-2-3-13(7-15)14-9-23-12-24-10-14/h2-7,9-12H,8H2,1H3,(H2,22,26).
What are the key properties of 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 376.40 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[6-(fluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 137394071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).