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

C20H17FN6O — CID 146622949

IUPAC2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N
InChIInChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14/h2-8,10-12H,9H2,1H3,(H2,22,26)
InChIKeyOUYMFVQRWJXAHZ-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.04
Rot. Bonds4

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

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 146622949) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID146622949
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N
InChIInChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14/h2-8,10-12H,9H2,1H3,(H2,22,26)
InChIKeyOUYMFVQRWJXAHZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 146622949) is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2cccc(-c3cncnc3)c2)(c2ccnc(CF)c2)N=C1N.
What is the InChIKey of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is OUYMFVQRWJXAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c1-27-18(28)20(26-19(27)22,16-5-6-25-17(8-16)9-21)15-4-2-3-13(7-15)14-10-23-12-24-11-14/h2-8,10-12H,9H2,1H3,(H2,22,26).
What are the key properties of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[2-(fluoromethyl)-4-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-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 146622949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).