2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one

C21H19FN6O2 — CID 147704854

IUPAC2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2cc(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)ccc2O)cn1
InChIInChI=1S/C21H19FN6O2/c1-12-25-10-13(11-26-12)17-8-14(3-4-18(17)29)21(19(30)28(2)20(23)27-21)15-5-6-24-16(7-15)9-22/h3-8,10-11,29H,9H2,1-2H3,(H2,23,27)
InChIKeyGTONJFQTPMTNDH-UHFFFAOYSA-N
MW406.42 g/mol
LogP2.05
Rot. Bonds4

About 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (PubChem CID 147704854) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
PubChem CID147704854
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
SMILESCc1ncc(-c2cc(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)ccc2O)cn1
InChIInChI=1S/C21H19FN6O2/c1-12-25-10-13(11-26-12)17-8-14(3-4-18(17)29)21(19(30)28(2)20(23)27-21)15-5-6-24-16(7-15)9-22/h3-8,10-11,29H,9H2,1-2H3,(H2,23,27)
InChIKeyGTONJFQTPMTNDH-UHFFFAOYSA-N
XLogP2.05
TPSA117.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496031
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-5-yl)phenyl]-3-methylimidazol-4-one
CID 153496004
2-amino-5-[3,4-difluoro-5-(2-fluorophenyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 153496056
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 146622949
2-amino-5-(3,4-difluoro-5-thiophen-3-ylphenyl)-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622446
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-4-ylphenyl)-3-methylimidazol-4-one
CID 146624577
3-[5-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-hydroxyphenyl]benzonitrile
CID 153495964
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622492
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methylimidazol-4-one
CID 146622967
2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one;(5R)-2-amino-5-[4-(2-fluoroethoxy)phenyl]-5-(4-fluoro-3-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 161223146
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-(3-methoxy-5-pyridazin-3-ylphenyl)-3-methylimidazol-4-one
CID 146624580
2-amino-5-[3-cyclopropyloxy-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(fluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one
CID 146622942

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one (CID 147704854) is 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is Cc1ncc(-c2cc(C3(c4ccnc(CF)c4)N=C(N)N(C)C3=O)ccc2O)cn1.
What is the InChIKey of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
The InChIKey is GTONJFQTPMTNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-12-25-10-13(11-26-12)17-8-14(3-4-18(17)29)21(19(30)28(2)20(23)27-21)15-5-6-24-16(7-15)9-22/h3-8,10-11,29H,9H2,1-2H3,(H2,23,27).
What are the key properties of 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one?
2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one has a molecular weight of 406.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-(fluoromethyl)-4-pyridinyl]-5-[4-hydroxy-3-(2-methylpyrimidin-5-yl)phenyl]-3-methylimidazol-4-one is sourced from PubChem (CID 147704854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).