2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

C18H13F3N4O2 — CID 137052412

IUPAC2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(C(F)(F)F)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13F3N4O2/c1-27-13-10-6-5-9-12(13)16-22-15(18(19,20)21)14(17(26)23-16)25-24-11-7-3-2-4-8-11/h2-10H,1H3,(H,22,23,26)/b25-24+
InChIKeyYFQMEKFNLQOTFG-OCOZRVBESA-N
MW374.32 g/mol
LogP4.88
Rot. Bonds4

About 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 137052412) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID137052412
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCOc1ccccc1-c1nc(C(F)(F)F)c(/N=N/c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C18H13F3N4O2/c1-27-13-10-6-5-9-12(13)16-22-15(18(19,20)21)14(17(26)23-16)25-24-11-7-3-2-4-8-11/h2-10H,1H3,(H,22,23,26)/b25-24+
InChIKeyYFQMEKFNLQOTFG-OCOZRVBESA-N
XLogP4.88
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-phenyldiazenyl-2,4-bis(trifluoromethyl)-1H-pyrimidin-6-one
CID 144715291
2-(2-imidazol-1-ylethyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137153984
3-[2-(2-methoxyphenyl)-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973589
2-[2-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135597700
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
CID 106514778
8-methoxy-2-[4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 135513721
2-(2-ethoxyphenyl)-8-methoxy-3H-quinazolin-4-one
CID 135966513
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
2-amino-4-(dimethoxymethyl)-5-phenyldiazenyl-1H-pyrimidin-6-one
CID 135712962
2-(2-methoxyphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 82276870
5-ethyl-4-methyl-2-[2-(trifluoromethoxy)phenyl]-1H-pyrimidin-6-one
CID 135996623

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 137052412) is 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is COc1ccccc1-c1nc(C(F)(F)F)c(/N=N/c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YFQMEKFNLQOTFG-OCOZRVBESA-N. The full InChI is InChI=1S/C18H13F3N4O2/c1-27-13-10-6-5-9-12(13)16-22-15(18(19,20)21)14(17(26)23-16)25-24-11-7-3-2-4-8-11/h2-10H,1H3,(H,22,23,26)/b25-24+.
What are the key properties of 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 374.32 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-phenyldiazenyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137052412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).