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

C20H16F2N6O — CID 137394397

IUPAC2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,15-5-6-16(17(21)22)26-10-15)14-4-2-3-12(7-14)13-8-24-11-25-9-13/h2-11,17H,1H3,(H2,23,27)
InChIKeyUUASPXGUYCIFLF-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.51
Rot. Bonds4

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

2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 137394397) has the molecular formula C20H16F2N6O and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID137394397
Molecular FormulaC20H16F2N6O
Molecular Weight394.39 g/mol
Exact Mass394.14
IUPAC Name2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,15-5-6-16(17(21)22)26-10-15)14-4-2-3-12(7-14)13-8-24-11-25-9-13/h2-11,17H,1H3,(H2,23,27)
InChIKeyUUASPXGUYCIFLF-UHFFFAOYSA-N
XLogP2.51
TPSA97.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
CID 11497471
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
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-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 137394397) is 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccc(C(F)F)nc2)(c2cccc(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is UUASPXGUYCIFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O/c1-28-18(29)20(27-19(28)23,15-5-6-16(17(21)22)26-10-15)14-4-2-3-12(7-14)13-8-24-11-25-9-13/h2-11,17H,1H3,(H2,23,27).
What are the key properties of 2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[6-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 394.39 g/mol, XLogP of 2.51, 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-(difluoromethyl)-3-pyridinyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 137394397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).